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Q96IY4 | CBPB2_HUMAN | Carboxypeptidase B2 (CPB2)

3D structures mapped by conservation among orthologs

[ Domain: "Zn-dependent exopeptidases" // Peptidase_M14 ]

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[ Domain: "Protease propeptides/inhibitors" // Propep_M14 ]

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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
CHEMBL2164462 OBDepict OH O Se Se N NH 2 O OH N NH 2 IC50 = 0.0022 nM 516.32 Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(=O)O)C(=O)O)cn1 Homo sapiens CHEMBL2168944 single protein format
CHEMBL2164450 OBDepict OH O Se Se N Cl NH 2 O OH N Cl NH 2 IC50 = 0.025 nM 585.21 Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(=O)O)C(=O)O)cc1Cl Homo sapiens CHEMBL2168944 single protein format
CHEMBL4878039 OBDepict NH 2 P N O OH HO O N F N H 3 C Ki = 0.75 nM 438.44 Cn1cncc1-c1cc(F)ccc1CN1CCP(=O)(O)[C@](CCCCN)(C(=O)O)C1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL4868605 OBDepict NH 2 P N O OH HO O F CH 3 IC50 = 1.0 nM 448.48 Cc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL308195 OBDepict OH O N N H H H 2 N H 3 C CH 3 H 3 C IC50 = 1.0 nM 307.44 CC(C)(C)CCn1cnc(C(C[C@H]2CC[C@H](N)C2)C(=O)O)c1 Homo sapiens CHEMBL880226 single protein format
CHEMBL3577442 OBDepict H 2 N N NH H O OH N H O H HN O CH 3 CH 3 H 3 C IC50 = 1.0 nM 513.68 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](Cc3ccc(N)nc3)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL2164459 OBDepict NH 2 O OH Se O CH 3 IC50 = 1.1 nM 294.25 CCC(=O)[Se]CC(CCCCCN)C(=O)O Homo sapiens CHEMBL2168944 single protein format
CHEMBL4127473 OBDepict H 3 C Se O O OH N Cl NH 2 IC50 = 1.5 nM 349.68 CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(=O)O Homo sapiens CHEMBL4124562 single protein format
CHEMBL70177 OBDepict CH 3 H 3 C N N O HO N H 2 N IC50 = 2.0 nM 316.41 CC(C)CCCn1cnc(C(Cc2ccc(N)nc2)C(=O)O)c1 Homo sapiens CHEMBL880226 single protein format
CHEMBL4846664 OBDepict H 2 N P N O HO OH O N IC50 = 2.0 nM 417.45 NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2cccnc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL2164457 OBDepict NH 2 O HO Se Se O HO H 2 N IC50 = 2.0 nM 474.36 NCCCCCC(C[Se][Se]CC(CCCCCN)C(=O)O)C(=O)O Homo sapiens CHEMBL2168944 single protein format
CHEMBL68399 OBDepict H 3 C H 3 C N N O OH N H 2 N IC50 = 2.7 nM 302.38 CC(C)CCn1cnc(C(Cc2ccc(N)nc2)C(=O)O)c1 Homo sapiens CHEMBL655449 cell-free format
CHEMBL3577425 OBDepict H 2 N HN H O HO HN O H N H O H 3 C H 3 C CH 3 IC50 = 3.0 nM 478.68 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3912764 OBDepict NH 2 N H H O OH N H O H N H O H CH 3 H 3 C H 3 C IC50 = 3.0 nM 478.68 CC1(C)C2CCC1(C)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O)C2 Homo sapiens CHEMBL3861673 cell-free format
CHEMBL589645 OBDepict NH 2 O H O HO N N Ki = 3.5 nM 275.31 NCCO[C@@H](Cc1cn(-c2ccccc2)cn1)C(=O)O Homo sapiens CHEMBL1069123 single protein format
CHEMBL3577440 OBDepict H 2 N NH NH NH H O OH N H O H NH O CH 3 H 3 C H 3 C IC50 = 4.0 nM 506.69 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3577439 OBDepict H 2 N S HN H O HO HN O H N H O H 3 C H 3 C CH 3 IC50 = 4.0 nM 496.72 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CSCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3577435 OBDepict H 2 N HN H O HO HN O N H O H 3 C H 3 C CH 3 IC50 = 4.0 nM 464.65 CC12CCC(C(NC(=O)C(CC3CCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL236822 OBDepict SH O OH N H NH NH 2 Ki = 4.0 nM 205.28 N=C(N)NCCCC(CS)C(=O)O Homo sapiens CHEMBL901238 single protein format
CHEMBL2164460 OBDepict NH 2 O OH Se O IC50 = 4.1 nM 384.38 NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(=O)O Homo sapiens CHEMBL2168944 single protein format
CHEMBL4861532 OBDepict H 2 N P N O HO OH O F N N IC50 = 5.0 nM 436.42 NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL245787 OBDepict SH O OH HN NH NH 2 IC50 = 5.0 nM 239.3 N=C(N)Nc1cccc(C(CS)C(=O)O)c1 Homo sapiens CHEMBL885908 single protein format
CHEMBL4858095 OBDepict NH 2 P N O OH HO O N O CH 3 IC50 = 5.0 nM 447.47 COc1ccc(-c2ccccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cn1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL3642855 OBDepict NH 2 CH 3 H H O HO N N H H CH 3 IC50 = 5.1 nM 307.44 C[C@@H](CN)C[C@@H](Cc1cn([C@H]2CC[C@H](C)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL2164461 OBDepict NH 2 O HO Se O IC50 = 5.3 nM 370.35 NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(=O)O Homo sapiens CHEMBL2168944 single protein format
CHEMBL3642849 OBDepict NH 2 CH 3 H H O HO N N H H CH 3 IC50 = 5.4 nM 307.44 C[C@H](CN)C[C@@H](Cc1cn([C@H]2CC[C@H](C)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL2164463 OBDepict NH 2 H O HO P O OH N H H CH 3 H 3 C O IC50 = 5.5 nM 426.49 CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(O)C[C@@H](CCCCCN)C(=O)O Homo sapiens CHEMBL2168947 single protein format
CHEMBL589646 OBDepict H 2 N O H O HO N N CH 3 CH 3 CH 3 Ki = 5.7 nM 331.42 CC(C)(C)c1ccc(-n2cnc(C[C@H](OCCN)C(=O)O)c2)cc1 Homo sapiens CHEMBL1069123 single protein format
CHEMBL590857 OBDepict H 2 N O CH 3 H H O OH N N N Ki = 5.8 nM 290.32 C[C@H](CN)O[C@@H](Cc1cn(-c2ccccn2)cn1)C(=O)O Homo sapiens CHEMBL1069123 single protein format
CHEMBL149680 OBDepict H 3 C N N O OH N H 2 N IC50 = 6.0 nM 288.35 CCCCn1cnc(C(Cc2ccc(N)nc2)C(=O)O)c1 Homo sapiens CHEMBL655449 cell-free format
CHEMBL4878039 OBDepict NH 2 P N O OH HO O N F N H 3 C IC50 = 6.0 nM 438.44 Cn1cncc1-c1cc(F)ccc1CN1CCP(=O)(O)[C@](CCCCN)(C(=O)O)C1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL609577 OBDepict CH 3 N N O H O HO H 2 N Ki = 6.7 nM 241.29 CCCn1cnc(C[C@H](OCCN)C(=O)O)c1 Homo sapiens CHEMBL1069123 single protein format
CHEMBL4853133 OBDepict H 2 N P N O HO OH O N N IC50 = 7.0 nM 418.43 NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2cncnc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL3640803 OBDepict H 2 N O CH 3 H O OH N N H H CH 3 IC50 = 7.0 nM 309.41 C[C@H](CN)OC(Cc1cn([C@H]2CC[C@H](C)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3577433 OBDepict H 2 N HN H O OH HN O H NH O H 3 C H 3 C CH 3 IC50 = 7.0 nM 436.6 CC12CCC(C(NC(=O)[C@@H](CC3CC3)NC(=O)N[C@@H](CCCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3642847 OBDepict NH 2 O HO N N H 3 C CH 3 IC50 = 7.5 nM 307.44 CC1(C)CCCC(n2cnc(CC(CCCN)C(=O)O)c2)C1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL601926 OBDepict H 2 N O CH 3 H H O OH N N Ki = 7.5 nM 289.34 C[C@H](CN)O[C@@H](Cc1cn(-c2ccccc2)cn1)C(=O)O Homo sapiens CHEMBL1069123 single protein format
CHEMBL3640801 OBDepict H 2 N H O HO N N H H CH 3 IC50 = 7.8 nM 293.41 C[C@H]1CC[C@H](n2cnc(C[C@H](CCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL4852722 OBDepict NH 2 P N O OH HO O F O CH 3 IC50 = 8.0 nM 464.47 COc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL236822 OBDepict SH O OH N H NH NH 2 IC50 = 8.0 nM 205.28 N=C(N)NCCCC(CS)C(=O)O Homo sapiens CHEMBL885908 single protein format
CHEMBL3235132 OBDepict H 3 C N N O HO NH 2 IC50 = 8.0 nM 265.36 CCCn1cnc2c1CC[C@@](CCCN)(C(=O)O)C2 Homo sapiens CHEMBL3243346 single protein format
CHEMBL4858909 OBDepict NH 2 P N O OH HO O F O O CH 3 CH 3 IC50 = 8.0 nM 494.5 COc1ccc(-c2cc(F)ccc2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1OC Homo sapiens CHEMBL4835313 single protein format
CHEMBL3640802 OBDepict H 2 N O O OH N N H H CH 3 IC50 = 8.1 nM 295.38 C[C@H]1CC[C@H](n2cnc(CC(OCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL150332 OBDepict SH O OH S NH 2 NH 2 IC50 = 8.2 nM 236.36 NC(N)=CCCSCC(CS)C(=O)O Homo sapiens CHEMBL655449 cell-free format
CHEMBL594359 OBDepict H 2 N O H O OH N N Ki = 8.2 nM 309.41 NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(=O)O Homo sapiens CHEMBL1069123 single protein format
CHEMBL3640788 OBDepict H 2 N O OH N N H H CH 3 IC50 = 8.3 nM 293.41 C[C@H]1CC[C@H](n2cnc(CC(CCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640789 OBDepict H 2 N O OH N N H H CH 3 IC50 = 8.8 nM 307.44 CC[C@H]1CC[C@H](n2cnc(CC(CCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3577434 OBDepict H 2 N HN H O OH HN O H NH O H 3 C H 3 C CH 3 IC50 = 9.0 nM 450.62 CC12CCC(C(NC(=O)[C@@H](CC3CCC3)NC(=O)N[C@@H](CCCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL4852607 OBDepict NH 2 P N O OH HO O N H 3 C N F F F IC50 = 9.0 nM 488.45 Cn1nc(C(F)(F)F)cc1-c1ccccc1CN1CCP(=O)(O)[C@](CCCCN)(C(=O)O)C1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL4875723 OBDepict H 2 N P N O HO OH O OH IC50 = 9.0 nM 432.46 NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL3642854 OBDepict NH 2 O HO N N H H H 3 C IC50 = 9.3 nM 293.41 C[C@H]1CC[C@@H](n2cnc(CC(CCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3642853 OBDepict H 2 N O OH N N H H O N IC50 = 9.8 nM 372.47 NCCCC(Cc1cn([C@H]2CC[C@H](Oc3ccncc3)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3642851 OBDepict H 3 C NH 2 O OH N N H H CH 3 IC50 = 10.0 nM 321.47 CCC(CN)CC(Cc1cn([C@H]2CC[C@H](C)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL4861840 OBDepict H 2 N P N O HO OH O Cl Cl IC50 = 10.0 nM 485.35 NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL4782260 OBDepict NH 2 N H H O OH N H O H O N H H N H H 3 C CH 3 S N O IC50 = 10.0 nM 482.61 CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)CCCCNC(=O)c2csc1n2 Homo sapiens CHEMBL4671908 cell-free format
CHEMBL398110 OBDepict CH 3 N N H O HO H 2 N Ki = 10.0 nM 239.32 CCCn1cnc(C[C@H](CCCN)C(=O)O)c1 Homo sapiens CHEMBL901238 single protein format
CHEMBL245985 OBDepict SH O OH Cl HN NH NH 2 IC50 = 11.0 nM 273.75 N=C(N)Nc1ccc(Cl)c(C(CS)C(=O)O)c1 Homo sapiens CHEMBL885908 single protein format
CHEMBL4854445 OBDepict H 2 N P N O HO OH O F IC50 = 11.0 nM 434.45 NCCCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL302054 OBDepict CH 3 CH 3 N N O HO N H 3 C H 2 N IC50 = 12.0 nM 330.43 Cc1cc(CC(C(=O)O)c2cn(CCCC(C)C)cn2)cnc1N Homo sapiens CHEMBL880226 single protein format
CHEMBL3639396 OBDepict NH 2 O HO N N IC50 = 12.0 nM 331.46 NCCCC(Cc1cn(C2C3CC4CC(C3)CC2C4)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3933831 OBDepict NH 2 HN H O HO S N H O O H HN O H CH 3 H CH 3 H 3 C IC50 = 12.0 nM 514.73 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O)C2 Homo sapiens CHEMBL3861673 cell-free format
CHEMBL3640799 OBDepict H 2 N O OH N N H H O IC50 = 13.0 nM 371.48 NCCCC(Cc1cn([C@H]2CC[C@H](Oc3ccccc3)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640797 OBDepict H 2 N O OH N N H IC50 = 14.0 nM 291.39 NCCCC(Cc1cn([C@@H]2CC3CCC2C3)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640790 OBDepict H 2 N O OH N N CH 3 IC50 = 14.0 nM 279.38 CCC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3577426 OBDepict H 2 N HN H O HO HN O H N H O H 3 C H 3 C CH 3 IC50 = 15.0 nM 472.63 CC12CCC(C(NC(=O)[C@@H](Cc3ccccc3)NC(=O)N[C@@H](CCCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3577432 OBDepict H 2 N HN H O HO HN O H N H O CH 3 H 3 C H 3 C H 3 C IC50 = 15.0 nM 424.59 CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)NC1CC2(C)CCC1C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL590859 OBDepict H 3 C N N O O HO H 2 N Ki = 15.0 nM 255.32 CCCCn1cnc(CC(OCCN)C(=O)O)c1 Homo sapiens CHEMBL1069123 single protein format
CHEMBL4866725 OBDepict H 2 N P N O HO OH O IC50 = 17.0 nM 416.46 NCCCCC1(C(=O)O)CN(Cc2ccccc2-c2ccccc2)CCP1(=O)O Homo sapiens CHEMBL4835313 single protein format
CHEMBL3577436 OBDepict H 2 N NH H O OH N H O H NH O CH 3 H 3 C H 3 C IC50 = 18.0 nM 464.65 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3640795 OBDepict NH 2 O HO N N CH 3 IC50 = 18.0 nM 293.41 CC1CCCC(n2cnc(CC(CCCN)C(=O)O)c2)C1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3642852 OBDepict H 2 N O OH N N H H OH IC50 = 19.0 nM 295.38 NCCCC(Cc1cn([C@H]2CC[C@@H](O)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640794 OBDepict H 2 N O OH N N CH 3 OH IC50 = 19.0 nM 309.41 CC1(O)CCC(n2cnc(CC(CCCN)C(=O)O)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3577336 OBDepict H 2 N HN H O HO NH O H N H O IC50 = 19.0 nM 476.66 NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)O Homo sapiens CHEMBL3580143 single protein format
CHEMBL3642846 OBDepict HO O N N H NH 2 N H H H 3 C IC50 = 21.0 nM 320.44 C[C@H]1CC[C@H](n2cnc(CC(C(=O)O)N3CC[C@H](N)C3)c2)CC1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640787 OBDepict NH 2 O HO N N IC50 = 21.0 nM 279.38 NCCCC(Cc1cn(C2CCCCC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640792 OBDepict H 2 N O OH N N H H H IC50 = 21.0 nM 277.37 NCCCC(Cc1cn([C@H]2C[C@@H]3C[C@@H]3C2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL436425 OBDepict HO O N N N NH 2 IC50 = 21.0 nM 322.37 Nc1ccc(CC(C(=O)O)c2cn(Cc3ccccc3)cn2)cn1 Homo sapiens CHEMBL655449 cell-free format
CHEMBL3640796 OBDepict NH 2 O OH N N IC50 = 21.0 nM 293.41 NCCCC(Cc1cn(C2CCCCCC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL4762812 OBDepict NH 2 N H H O OH N H O H O HN H O H 3 C H 3 C N H O IC50 = 22.0 nM 491.59 CC(C)[C@H]1COCCC(=O)Nc2ccc(cc2)C[C@@H](NC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N1 Homo sapiens CHEMBL4671908 cell-free format
CHEMBL66512 OBDepict CH 3 H 3 C N N O OH N CH 3 NH 2 IC50 = 23.0 nM 316.41 Cc1cc(CC(C(=O)O)c2cn(CCC(C)C)cn2)cnc1N Homo sapiens CHEMBL880226 single protein format
CHEMBL66508 OBDepict H 2 N N O HO N CH 3 H 3 C IC50 = 24.0 nM 267.37 CC(C)CCn1cnc(C(CCCCN)C(=O)O)c1 Homo sapiens CHEMBL880226 single protein format
CHEMBL3640798 OBDepict H 2 N O OH N N H IC50 = 25.0 nM 291.39 NCCCC(Cc1cn([C@H]2CC3CCC2C3)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640793 OBDepict H 2 N O OH N N H H OH IC50 = 26.0 nM 295.38 NCCCC(Cc1cn([C@H]2CC[C@H](O)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3917216 OBDepict H 2 N N N H H O OH S NH O O H NH O H H 3 C H H 3 C CH 3 IC50 = 26.0 nM 549.74 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(=O)O)C2 Homo sapiens CHEMBL3861673 cell-free format
CHEMBL2164458 OBDepict NH 2 O O Se CH 3 O CH 3 IC50 = 30.0 nM 322.31 CCOC(=O)C(CCCCCN)C[Se]C(=O)CC Homo sapiens CHEMBL2168944 single protein format
CHEMBL3577335 OBDepict NH 2 NH H O OH HN O H N H O IC50 = 31.0 nM 476.66 NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O Homo sapiens CHEMBL3580143 single protein format
CHEMBL4868496 OBDepict NH 2 P N O OH HO O F O CH 3 IC50 = 31.0 nM 464.47 COc1ccc(-c2cccc(F)c2CN2CCP(=O)(O)[C@](CCCCN)(C(=O)O)C2)cc1 Homo sapiens CHEMBL4835313 single protein format
CHEMBL2164453 OBDepict NH 2 O HO HS IC50 = 34.0 nM 191.3 NCCCCCC(CS)C(=O)O Homo sapiens CHEMBL2168947 single protein format
CHEMBL3642848 OBDepict NH 2 CH 3 H H O HO N N H H CH 3 IC50 = 34.0 nM 307.44 C[C@H](CN)C[C@H](Cc1cn([C@H]2CC[C@H](C)CC2)cn1)C(=O)O Homo sapiens CHEMBL3705714 single protein format
CHEMBL3640791 OBDepict H 2 N O OH N N CH 3 IC50 = 35.0 nM 265.36 CC1CC(n2cnc(CC(CCCN)C(=O)O)c2)C1 Homo sapiens CHEMBL3705714 single protein format
CHEMBL358017 OBDepict H 3 C N N O OH N H 2 N IC50 = 36.0 nM 260.3 CCn1cnc(C(Cc2ccc(N)nc2)C(=O)O)c1 Homo sapiens CHEMBL655449 cell-free format
CHEMBL246978 OBDepict HS O OH HN IC50 = 37.0 nM 189.28 O=C(O)C(CS)C1CCNCC1 Homo sapiens CHEMBL885908 single protein format
CHEMBL3577438 OBDepict H 2 N S O O HN H O HO HN O H N H O H 3 C H 3 C H 3 C IC50 = 38.0 nM 528.72 CC12CCC(C(NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(=O)O)C1)C2(C)C Homo sapiens CHEMBL3580143 single protein format
CHEMBL3949673 OBDepict NH 2 N H H O HO NH O H NH O IC50 = 38.0 nM 436.6 NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(=O)O Homo sapiens CHEMBL3861673 cell-free format
CHEMBL3577424 OBDepict NH 2 N H H O HO NH O H NH O IC50 = 39.0 nM 436.6 NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(=O)O Homo sapiens CHEMBL3580143 single protein format
CHEMBL3235140 OBDepict H 2 N O OH N N Cl Cl ClH IC50 < 41.0 nM 480.82 Cl.NCCC[C@@]1(C(=O)O)CCn2c(-c3cccc(-c4ccc(Cl)cc4Cl)c3)cnc2C1 Homo sapiens CHEMBL3243352 single protein format
CHEMBL4764267 OBDepict NH 2 N H H O OH N H O H O N H H N H H 3 C CH 3 O N O IC50 = 42.0 nM 466.54 CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(=O)O)CCCCNC(=O)c2coc1n2 Homo sapiens CHEMBL4671908 cell-free format
CHEMBL395892 OBDepict H 3 C N N O HO H 2 N Ki = 46.0 nM 239.32 CCCn1cnc(CC(CCCN)C(=O)O)c1 Homo sapiens CHEMBL901238 single protein format
CHEMBL3967145 OBDepict H 2 N NH NH N H H O HO S NH O O H N H O H H 3 C H H 3 C CH 3 IC50 = 49.0 nM 542.75 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C2 Homo sapiens CHEMBL3861673 cell-free format
CHEMBL344949 OBDepict OH O N N CH 3 N H 2 N IC50 = 50.0 nM 246.27 Cn1cnc(C(Cc2ccc(N)nc2)C(=O)O)c1 Homo sapiens CHEMBL655449 cell-free format