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P00797 | RENI_HUMAN | Renin (REN)

3D structures mapped by conservation among orthologs

[ Domain: "acid protease" // Asp_C ]

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[ Domain: "acid protease" // TAXi_C,Asp_N ]

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[ Domain: "acid protease" // Asp_N ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1796073 OBDepict O N H NH H N N O F H 3 C IC50 = 0.02 nM 512.63 Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3cccc(F)c23)C2CC2)cc1=O Homo sapiens CHEMBL1799737 single protein format
CHEMBL1910311 OBDepict O N H N H OH N F F F O N N CH 3 IC50 = 0.03 nM 539.56 Cc1noc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)n1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910302 OBDepict CH 3 O N N F O O H H 3 C N H OH F F IC50 = 0.04 nM 587.68 COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)cn(CCCOC)c12 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910319 OBDepict F N N F O H N H OH F F IC50 = 0.04 nM 551.58 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910546 OBDepict O N H N H OH N F F F N CH 3 IC50 = 0.04 nM 548.61 Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)ccn1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910315 OBDepict O N H N H OH N F F F IC50 = 0.05 nM 533.59 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1796075 OBDepict F N N F O H N H H N O CH 3 IC50 = 0.05 nM 530.62 Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccc(F)cc3)c3cccc(F)c23)C2CC2)cc1=O Homo sapiens CHEMBL1799737 single protein format
CHEMBL1957797 OBDepict H 3 C O H 3 C H O HO H N H H 3 C N H O H 3 C IC50 = 0.05 nM 544.74 COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL1796074 OBDepict F N N F O H N H H N O CH 3 IC50 = 0.06 nM 530.62 Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3cccc(F)c3)c3cccc(F)c23)C2CC2)cc1=O Homo sapiens CHEMBL1799737 single protein format
CHEMBL1910308 OBDepict F F OH H N H N O N F N O IC50 = 0.06 nM 524.54 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ncco2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL2017100 OBDepict Br N O H N H OH F F IC50 = 0.06 nM 485.33 O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc3ccccc23)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL1910300 OBDepict CH 3 O N N F O H N H OH F F IC50 = 0.07 nM 515.58 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1796071 OBDepict CH 3 O N N Br O H N H H N O H 3 C IC50 = 0.07 nM 555.52 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Br)cccc21 Homo sapiens CHEMBL1799737 single protein format
CHEMBL1957789 OBDepict CH 3 O F F O OH H N H CH 3 N H O CH 3 IC50 = 0.08 nM 566.69 COCC(F)(F)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL1910322 OBDepict O N H N H OH N F F F N IC50 = 0.08 nM 534.58 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL430539 OBDepict CH 3 O O O H H O HN O O H 3 C H 3 C IC50 = 0.087 nM 571.71 COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cc1 Homo sapiens CHEMBL803424 single protein format
CHEMBL1923121 OBDepict CH 3 O N O H NH O F F IC50 = 0.09 nM 520.62 COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c2ccccc2c1 Homo sapiens CHEMBL1925082 single protein format
CHEMBL1910320 OBDepict F F N N F O H N H HO F F IC50 = 0.09 nM 569.57 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910301 OBDepict H 3 C O N H F N O H N H HO F F IC50 = 0.1 nM 515.58 COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c[nH]c12 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910321 OBDepict O N H N H OH N F F F N IC50 = 0.1 nM 534.58 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1910317 OBDepict F O F N N F O H N H OH F F IC50 = 0.1 nM 599.6 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL484897 OBDepict CH 3 N H NH H N O H OH F Cl O CH 3 IC50 = 0.1 nM 526.14 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1 Homo sapiens CHEMBL957839 single protein format
CHEMBL1910298 OBDepict O N H N H OH N F H Cl F IC50 = 0.11 nM 459.92 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Cl)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1923116 OBDepict O N H NH O CH 3 F CH 3 F IC50 = 0.11 nM 426.51 Cc1cccc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1C Homo sapiens CHEMBL1925082 single protein format
CHEMBL1796070 OBDepict CH 3 O N N Cl O H N H H N O H 3 C IC50 = 0.12 nM 511.07 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(Cl)cccc21 Homo sapiens CHEMBL1799737 single protein format
CHEMBL496431 OBDepict H 3 C N H HN H N O H OH Br O H 3 C IC50 = 0.13 nM 552.6 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Br)c2)C1 Homo sapiens CHEMBL957839 single protein format
CHEMBL1957796 OBDepict CH 3 HN O CH 3 H N H O O F F IC50 = 0.14 nM 490.55 CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OC(=O)c2cc(F)c(F)cc23)c(C)c1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL2017104 OBDepict H 3 C HN O F O N Br H NH HO F F IC50 = 0.14 nM 538.36 CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL519687 OBDepict CH 3 N H NH H N O H OH F F O CH 3 IC50 = 0.14 nM 509.68 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1 Homo sapiens CHEMBL957839 single protein format
CHEMBL1910309 OBDepict F F OH H N H N O N F N O IC50 = 0.15 nM 524.54 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1923120 OBDepict O N H NH O F F IC50 = 0.16 nM 448.51 O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2ccccc12)C1CC1 Homo sapiens CHEMBL1925082 single protein format
CHEMBL4128929 OBDepict H 3 C O N N O H NH CH 3 H 3 C H N O O IC50 = 0.16 nM 524.71 COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)ccc1-c1ccccc1 Homo sapiens CHEMBL4122878 single protein format
CHEMBL2017110 OBDepict CH 3 O H N H N F O Br F NH O H 3 C IC50 = 0.17 nM 534.4 CO[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1noc(-c2ccccc2CCNC(C)=O)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL1957788 OBDepict CH 3 HN O CH 3 H N H O F F IC50 = 0.17 nM 476.57 CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)c(C)c1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL1910299 OBDepict O N H N H OH N F H Br F IC50 = 0.17 nM 504.38 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Br)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1923119 OBDepict H 3 C O H 3 C N H 3 C O H HN O F F IC50 = 0.18 nM 498.61 COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 Homo sapiens CHEMBL1925082 single protein format
CHEMBL592763 OBDepict CH 3 N H NH H N O H OH Cl N H O O CH 3 IC50 = 0.18 nM 537.15 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(=O)OC)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL1039372 single protein format
CHEMBL3318957 OBDepict CH 3 O N H H O CH 3 H 3 C H N H H HO H N O N H 3 C H 3 C IC50 = 0.2 nM 474.65 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O Homo sapiens CHEMBL3406559 single protein format
CHEMBL3318947 OBDepict CH 3 O N H H O CH 3 H 3 C H N H H HO H N O N H 3 C H 3 C ClH IC50 = 0.2 nM 511.11 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O.Cl Homo sapiens CHEMBL3365816 single protein format
CHEMBL1807385 OBDepict H 3 C O O O H 3 C H H 3 C CH 3 NH 2 H OH H H N H O H 3 C CH 3 CH 3 CH 3 N N N IC50 = 0.2 nM 589.82 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2ccnn2)C(C)C)C(C)C)ccc1OC Homo sapiens CHEMBL1810158 single protein format
CHEMBL1923113 OBDepict O N H HN O Cl F Cl F IC50 = 0.2 nM 467.34 O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(Cl)c1Cl)C1CC1 Homo sapiens CHEMBL1925082 single protein format
CHEMBL3318944 OBDepict CH 3 O N H H O CH 3 H 3 C H N H H N O N O H 3 C H 3 C ClH IC50 = 0.2 nM 525.13 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)C1.Cl Homo sapiens CHEMBL3365816 single protein format
CHEMBL3318943 OBDepict CH 3 O N H H O CH 3 H 3 C H N H H N O N O H 3 C H 3 C H 3 C ClH IC50 = 0.2 nM 525.13 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1.Cl Homo sapiens CHEMBL3365816 single protein format
CHEMBL4126136 OBDepict CH 3 HN N N N O CH 3 CH 3 CH 3 H HN CH 3 H 3 C H N O O IC50 = 0.2 nM 516.73 CCCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1 Homo sapiens CHEMBL4122878 single protein format
CHEMBL2017097 OBDepict Br N O H Cl N H HO Cl F F IC50 = 0.21 nM 504.16 O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc(Cl)c2Cl)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL2017111 OBDepict CH 3 HN O O N Br H HN O NH 2 F F IC50 = 0.22 nM 547.4 CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(C(N)=O)c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL589647 OBDepict H 3 C N H HN H N O H O H F F N H O O H 3 C IC50 = 0.23 nM 524.65 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(F)cc(F)c2)C1 Homo sapiens CHEMBL1039372 single protein format
CHEMBL1910297 OBDepict F F OH H N H N O N H F IC50 = 0.24 nM 443.47 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1796078 OBDepict O N H NH H N N O F H 3 C N IC50 = 0.24 nM 513.62 Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccncc3)c3cccc(F)c23)C2CC2)cc1=O Homo sapiens CHEMBL1799737 single protein format
CHEMBL2017109 OBDepict CH 3 NH O O N Br H HN H F F IC50 = 0.26 nM 504.38 CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL1910303 OBDepict CH 3 O N N F O N H HN OH F F IC50 = 0.26 nM 568.64 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CCC#N)c21 Homo sapiens CHEMBL1913654 single protein format
CHEMBL2017102 OBDepict CH 3 NH O O N Br H HN OH F F IC50 = 0.27 nM 520.37 CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL4130200 OBDepict H 3 C O N N N O H NH CH 3 H 3 C H OH IC50 = 0.28 nM 416.57 COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](CO)C2)nc2ccccc21 Homo sapiens CHEMBL4122878 single protein format
CHEMBL3142268 OBDepict CH 3 O NH O H N H O H NH O CH 3 H 3 C H OH H HO H H 3 C CH 3 IC50 = 0.3 nM 575.79 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Homo sapiens CHEMBL801710 single protein format
CHEMBL3348544 OBDepict CH 3 CH 3 NH H N H O H N H O N H N OH H H HO H CH 3 H 3 C IC50 = 0.3 nM 583.82 CC(C)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Homo sapiens CHEMBL801710 single protein format
CHEMBL3674432 OBDepict CH 3 O N H H O H N H H N O N O CH 3 CH 3 CH 3 IC50 = 0.3 nM 514.71 CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)C1CCCCC1 Homo sapiens CHEMBL3705292 single protein format
CHEMBL537888 OBDepict CH 3 O O O CH 3 H H 3 C CH 3 H 2 N H OH H CH 3 H HN O N H O CH 3 ClH IC50 = 0.3 nM 546.15 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC.Cl Homo sapiens CHEMBL895231 single protein format
CHEMBL1795909 OBDepict CH 3 O Cl N Cl O H N H H N O H 3 C IC50 = 0.3 nM 506.47 COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 Homo sapiens CHEMBL1799737 single protein format
CHEMBL1910306 OBDepict CH 3 O N N N F O N H N H OH F F IC50 = 0.3 nM 595.67 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(Cn3ccnc3)c21 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1923117 OBDepict O N H HN O H 3 C F F F F F IC50 = 0.3 nM 480.48 Cc1c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cccc1C(F)(F)F Homo sapiens CHEMBL1925082 single protein format
CHEMBL3318956 OBDepict CH 3 O N H H O CH 3 H 3 C H N H H HO H N O N O H 3 C H 3 C IC50 = 0.3 nM 504.67 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O Homo sapiens CHEMBL3705292 single protein format
CHEMBL1796069 OBDepict CH 3 O N N F O H N H H N O H 3 C IC50 = 0.32 nM 494.61 COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c(F)cccc21 Homo sapiens CHEMBL1799737 single protein format
CHEMBL3907708 OBDepict CH 3 O O H HN H N O CH 3 CH 3 N NH N H 3 C CH 3 H 3 C O IC50 = 0.35 nM 471.6 COC(=O)[C@H]1CNC[C@@H](N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2NCc2ccco2)C1 Homo sapiens CHEMBL3859989 cell-free format
CHEMBL1910310 OBDepict O N H N H OH N F F F N O CH 3 IC50 = 0.36 nM 538.57 Cc1cc(Cn2cc(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c(F)cccc32)no1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL2017101 OBDepict CH 3 NH O N O Br H HN OH F F IC50 = 0.36 nM 520.37 CC(=O)NCCc1ccccc1-c1noc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL2017112 OBDepict OH OH O H NH N F O Br F NH O H 3 C IC50 = 0.37 nM 594.45 CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(OCC(O)CO)c2ccc(F)c(F)c2)c1Br Homo sapiens CHEMBL2020693 single protein format
CHEMBL1910312 OBDepict F F OH H N H N O N F N O IC50 = 0.38 nM 524.54 O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cnoc2)c2cccc(F)c12)C1CC1 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1783182 OBDepict H 3 C NH O CH 3 OH NH 2 CH 3 CH 3 O O CH 3 O H 3 C IC50 = 0.4 nM 480.69 CCCCNC(=O)C(C)CC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C Homo sapiens CHEMBL1787617 single protein format
CHEMBL1092186 OBDepict NH 2 N O Cl Cl O Cl Cl CH 3 IC50 = 0.4 nM 594.41 Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 Homo sapiens CHEMBL1110677 single protein format
CHEMBL3318941 OBDepict H 3 C O O N N H 3 C CH 3 O H N H H N H O H O H 3 C CH 3 CH 3 ClH IC50 = 0.4 nM 583.21 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)C1.Cl Homo sapiens CHEMBL3365816 single protein format
CHEMBL3318938 OBDepict CH 3 O N N O H N H H HN O H 3 C O CH 3 IC50 = 0.4 nM 532.69 COCCCn1cc(CN(C(=O)[C@H]2CNC[C@@H](C(=O)Nc3c(C)cccc3OC)C2)C2CC2)c2ccccc21 Homo sapiens CHEMBL3365816 single protein format
CHEMBL3674430 OBDepict CH 3 O O N N CH 3 H 3 C O H N H H OH H N H O H O CH 3 H 3 C H 3 C IC50 = 0.4 nM 562.75 CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)[C@@H]1O Homo sapiens CHEMBL3705292 single protein format
CHEMBL534729 OBDepict H 3 C O N H O CH 3 H OH H H 2 N H H CH 3 H 3 C O O H 3 C O H 3 C ClH IC50 = 0.4 nM 533.15 COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C.Cl Homo sapiens CHEMBL895231 single protein format
CHEMBL4108643 OBDepict CH 3 O N N CH 3 N H 3 C H F F F O H O HN IC50 = 0.4 nM 468.52 COCCCn1nc(C)c2c(C(F)(F)F)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 Homo sapiens CHEMBL3888119 single protein format
CHEMBL4110551 OBDepict CH 3 O N H O N N N N H 3 C H H 3 C O H O NH IC50 = 0.4 nM 444.54 COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21 Homo sapiens CHEMBL3888119 single protein format
CHEMBL1796065 OBDepict CH 3 O N O H N H H N O CH 3 IC50 = 0.4 nM 487.64 COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc2c1 Homo sapiens CHEMBL1799737 single protein format
CHEMBL3318937 OBDepict HO N H H O H N H H N O N O CH 3 IC50 = 0.4 nM 546.71 COCCCn1cc(CN(C(=O)[C@H]2CNC[C@@H](C(=O)N[C@H](CCO)c3ccccc3)C2)C2CC2)c2ccccc21 Homo sapiens CHEMBL3365816 single protein format
CHEMBL291139 OBDepict H 2 C N H H N H O O H NH H OH H OH H O O H 3 C H 3 C H 3 C H 3 C CH 3 IC50 = 0.42 nM 587.8 C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Homo sapiens CHEMBL872980 cell-free format
CHEMBL3990145 OBDepict CH 3 O N N N O H HN H 3 C CH 3 H N O O IC50 = 0.43 nM 499.66 COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21 Homo sapiens CHEMBL4122878 single protein format
CHEMBL1257701 OBDepict H 3 C O CH 3 H 2 N O O Cl Cl CH 3 IC50 = 0.44 nM 592.61 COCCCc1ccccc1-c1ccc(C(CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 Homo sapiens CHEMBL1259493 single protein format
CHEMBL1910307 OBDepict CH 3 O N H O N N F O H N H OH F F IC50 = 0.45 nM 530.55 CONC(=O)Cn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)cccc21 Homo sapiens CHEMBL1913654 single protein format
CHEMBL1783183 OBDepict CH 3 N H NH N O OH Cl O CH 3 IC50 = 0.47 nM 508.15 CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(O)(CCCCOC)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL1787617 single protein format
CHEMBL591342 OBDepict CH 3 N H NH H N O H O H H 3 C N H O O CH 3 IC50 = 0.47 nM 502.7 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(C)c2)C1 Homo sapiens CHEMBL1039372 single protein format
CHEMBL2017098 OBDepict Br N O H CH 3 NH HO H 3 C F F IC50 = 0.47 nM 463.32 Cc1cccc(-c2noc([C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c2Br)c1C Homo sapiens CHEMBL2020693 single protein format
CHEMBL496430 OBDepict H 3 C N H HN H N O H OH Cl O H 3 C IC50 = 0.47 nM 508.15 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL957839 single protein format
CHEMBL605408 OBDepict H 2 N N H H N O H O H Cl N H O O CH 3 IC50 = 0.48 nM 509.09 COC(=O)NCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1 Homo sapiens CHEMBL1039372 single protein format
CHEMBL591578 OBDepict CH 3 N H NH H N O H O H Cl N H O O CH 3 IC50 = 0.48 nM 523.12 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL1039372 single protein format
CHEMBL2024248 OBDepict CH 3 NH HN H H N O O H O H Cl N H O O H 3 C IC50 = 0.48 nM 525.09 CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL2027646 single protein format
CHEMBL4107238 OBDepict CH 3 O N N N H 3 C H H 3 C O H O NH IC50 = 0.5 nM 414.55 COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21 Homo sapiens CHEMBL3888119 single protein format
CHEMBL1923118 OBDepict O N H HN O Cl F F F F F IC50 = 0.5 nM 500.9 O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1 Homo sapiens CHEMBL1925082 single protein format
CHEMBL285146 OBDepict CH 3 O O O N H H O HN O O H 3 C H 3 C IC50 = 0.5 nM 572.7 COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1 Homo sapiens CHEMBL803424 single protein format
CHEMBL76458 OBDepict H 3 C CH 3 HO H OH H N H H O HN H O N NH H N H N O CH 3 H 3 C IC50 = 0.5 nM 598.79 CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)C Homo sapiens CHEMBL804784 single protein format
CHEMBL4114418 OBDepict CH 3 O NH O N O N CH 3 H CH 3 O H O NH IC50 = 0.5 nM 420.51 COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(OC)n1 Homo sapiens CHEMBL3888119 single protein format
CHEMBL1276402 OBDepict CH 3 N H O H CH 3 H 3 C OH H H 2 N H H 3 C H 3 C N O H N H O O CH 3 IC50 = 0.5 nM 532.73 CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](NC(=O)OC)Cc2ccccc21)C(C)C Homo sapiens CHEMBL1285354 cell-free format
CHEMBL3348551 OBDepict H 3 C O NH O H N H O H N H O N H N OH H H OH H CH 3 IC50 = 0.5 nM 571.72 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC Homo sapiens CHEMBL801710 single protein format
CHEMBL1957795 OBDepict CH 3 NH O CH 3 H HN OH F F IC50 = 0.5 nM 464.56 CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL1957676 OBDepict CH 3 NH O Cl H HN H F F IC50 = 0.5 nM 468.98 CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 Homo sapiens CHEMBL1961075 single protein format
CHEMBL1923122 OBDepict CH 3 O N O H HN O F F IC50 = 0.5 nM 520.62 COCCCc1cccc2cccc(CN(C(=O)[C@H]3CNCC[C@@]34OCc3cc(F)c(F)cc34)C3CC3)c12 Homo sapiens CHEMBL1925083 single protein format
CHEMBL1257460 OBDepict NH 2 Cl O Cl O Cl Cl CH 3 IC50 = 0.52 nM 575.36 Cc1cc(Cl)c(OCCOc2ccc(CC(CN)c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1 Homo sapiens CHEMBL1259493 single protein format
CHEMBL592765 OBDepict H 3 C N H HN H N O H O H F Cl N H O O H 3 C IC50 = 0.52 nM 541.11 CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(F)cc(Cl)c2)C1 Homo sapiens CHEMBL1039372 single protein format