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Q16602 | CALRL_HUMAN | Calcitonin gene-related peptide type 1 receptor (CALCRL)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_2 ]

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[ Domain: "Hormone receptor domain (HRM, Pfam 02793)" // HRM ]

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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
CHEMBL2431249 OBDepict O HN N O H 3 C N N CH 3 F F O NH N Ki = 0.017 nM 586.64 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL2431246 OBDepict F F H 3 C N N CH 3 O N O HN N Ki = 0.019 nM 567.64 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC#Cc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL1910936 OBDepict O NH N O H N H F F O HN N Ki = 0.021 nM 557.6 O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL2400791 single protein format
CHEMBL2431253 OBDepict F F CH 3 N N CH 3 O N O HN N Ki = 0.021 nM 569.66 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL2431256 OBDepict O NH N O H H 3 C H 3 C N CH 3 F F O HN N Ki = 0.022 nM 545.59 CN1C[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C Homo sapiens CHEMBL2434392 cell-based format
CHEMBL1092882 OBDepict O N H N O N N O HN N Ki = 0.023 nM 488.51 O=C1Cn2c(=O)n(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL2178422 OBDepict O N O H N N H H H 2 N O N H N F F Ki = 0.027 nM 534.57 N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F Homo sapiens CHEMBL2183300 cell-based format
CHEMBL2431254 OBDepict O NH N O H H 3 C H 3 C N H F F O HN N Ki = 0.034 nM 531.56 CC1(C)NC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O Homo sapiens CHEMBL2434392 cell-based format
CHEMBL585568 OBDepict O N H N O H CH 3 CH 3 F F O HN N Ki = 0.035 nM 530.58 CC1(C)CC[C@@H](c2c(F)cccc2F)N(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)C(=O)Nc3ncccc32)C1=O Homo sapiens CHEMBL1050773 cell-based format
CHEMBL1770729 OBDepict O NH O N N N H O H N N H CH 3 O F F Ki = 0.036 nM 592.65 CC1(c2cnc3n2C[C@H](c2cccc(F)c2F)CC[C@H]3NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)CCCO1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL1269644 OBDepict O N H 3 C H 3 C CH 3 H N O HN N Ki = 0.037 nM 530.67 CC(C)(C)C(=O)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21 Homo sapiens CHEMBL1273692 cell-based format
CHEMBL1770715 OBDepict H 3 C O CH 3 CH 3 N N H H NH F N O F N O N H N Ki = 0.04 nM 579.65 COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL512773 OBDepict O N H N O N N H O O HN N Ki = 0.04 nM 480.48 O=C(Cn1c(=O)n2c3c(cccc31)NC(=O)C2)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1015393 cell-based format
CHEMBL2035981 OBDepict O HN N O H 3 C HN F F O NH N Ki = 0.04 nM 571.63 C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL3648345 OBDepict F H 3 C H 3 C N O CH 3 H F F N O NH N Ki = 0.041 nM 534.58 C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)CF Homo sapiens CHEMBL3705068 single protein format
CHEMBL2431251 OBDepict F F CH 3 N N CH 3 O N O HN N Ki = 0.045 nM 571.67 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL2431248 OBDepict O HN N O H 3 C N CH 3 F F O NH N Ki = 0.046 nM 585.66 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL1770726 OBDepict CH 3 O CH 3 CH 3 N N H H NH F N O F O O HN N Ki = 0.05 nM 594.66 CCOC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL1770724 OBDepict CH 3 O H 3 C H 3 C N N H H HN F N O F O O NH N Ki = 0.05 nM 580.64 COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL3099925 OBDepict F F N H 3 C H O F F F N O NH N Ki = 0.05 nM 568.55 C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1 Homo sapiens CHEMBL3705068 single protein format
CHEMBL2035983 OBDepict O HN N O H 3 C N HN F F O NH N Ki = 0.052 nM 572.62 C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL2040017 cell-based format
CHEMBL2431247 OBDepict O NH N O CH 3 H 3 C H 3 C N CH 3 F F O HN N Ki = 0.056 nM 559.62 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C Homo sapiens CHEMBL2434392 cell-based format
CHEMBL3645137 OBDepict CH 3 N H 3 C O N O N O N H N Ki = 0.057 nM 557.65 CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C2(CCCc3ccccc32)C1=O Homo sapiens CHEMBL3705311 single protein format
CHEMBL4871223 OBDepict N N H N Cl O H F F F N O N O N N H Ki = 0.06 nM 600.0 N#Cc1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(n2c(=O)[nH]c4ncccc42)CC1)C3 Homo sapiens CHEMBL4835944 cell-based format
CHEMBL3645143 OBDepict F F H 3 C N N CH 3 O N O HN N Ki = 0.062 nM 593.68 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL3705311 single protein format
CHEMBL3648344 OBDepict Cl H 3 C H 3 C N O CH 3 H F F N O NH N Ki = 0.065 nM 551.04 C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)CCl Homo sapiens CHEMBL3705068 single protein format
CHEMBL2178420 OBDepict _ N + N N H H N H O F F N O N O N H N Ki = 0.066 nM 560.57 [N-]=[N+]=N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F Homo sapiens CHEMBL2183300 cell-based format
CHEMBL1770720 OBDepict O HN O N N HN O H N N H F F F F F Ki = 0.07 nM 590.55 O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)cnc43)CC2)O1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL2063115 OBDepict O N O H N N H O N H N F F Ki = 0.07 nM 519.55 O=C(O[C@@H]1CC[C@@H](c2cccc(F)c2F)Cc2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL2065550 cell-based format
CHEMBL1092208 OBDepict CH 3 N O NH N O HN N Ki = 0.072 nM 501.59 CCC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)Nc3ncccc31)C2 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL2178424 OBDepict O N O H N N H H OH O N H N F F Ki = 0.081 nM 535.55 O=C(O[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL2183300 cell-based format
CHEMBL4746329 OBDepict O N H O N N O N Cl F F F N H N N H Ki = 0.09 nM 575.98 O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL4676586 single protein format
CHEMBL2431252 OBDepict F F CH 3 N N CH 3 O O HN N Ki = 0.094 nM 568.67 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL1270291 OBDepict O N CH 3 CH 3 CH 3 CH 3 H N O HN N Ki = 0.1 nM 504.63 C[C@H](c1ccccc1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C Homo sapiens CHEMBL1273692 cell-based format
CHEMBL2429882 OBDepict F F H 3 C N N CH 3 O O HN N Ki = 0.11 nM 566.65 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC#Cc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL2431255 OBDepict O NH N O CH 3 H 3 C H 3 C N H F F O HN N Ki = 0.11 nM 545.59 CC1(C)NC[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O Homo sapiens CHEMBL2434392 cell-based format
CHEMBL1269645 OBDepict O N H 3 C H 3 C CH 3 H N O HN N Ki = 0.11 nM 530.67 CC(C)(C)C(=O)N(Cc1ccc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21 Homo sapiens CHEMBL1273692 cell-based format
CHEMBL1270391 OBDepict F F N H 3 C H O CH 3 CH 3 H 3 C N O HN N Ki = 0.12 nM 540.61 C[C@H](c1cc(F)cc(F)c1)N(Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C(=O)C(C)(C)C Homo sapiens CHEMBL1273692 cell-based format
CHEMBL562069 OBDepict O N H N N H O O HN N Ki = 0.12 nM 463.5 O=C(Cn1cc2c3c(cccc31)NC(=O)C2)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1060867 cell-based format
CHEMBL1089433 OBDepict O NH H 3 C N N O HN N Ki = 0.12 nM 487.56 CC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)C(=O)Nc3ncccc31)C2 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL570933 OBDepict NH 2 O N O N H N O HN N Ki = 0.13 nM 516.56 NCC12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@]1(C4)C(=O)Nc3ncccc31)C2=O Homo sapiens CHEMBL1050773 cell-based format
CHEMBL3099923 OBDepict O N CH 3 H 3 C CH 3 H 3 C H F CH 3 N O HN N Ki = 0.13 nM 512.63 Cc1ccc([C@@H](C)N(C/C=C/c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)cc1F Homo sapiens CHEMBL3705068 single protein format
CHEMBL1770723 OBDepict H 3 C O N N H H NH F N O F O O HN N Ki = 0.14 nM 552.58 COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL3645139 OBDepict F F H N HN O N O NH N Ki = 0.14 nM 565.62 O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CNC12CCCC2 Homo sapiens CHEMBL3705311 single protein format
CHEMBL1770557 OBDepict O N N H H N N N H O N H N F F F F F Ki = 0.14 nM 589.57 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL1269646 OBDepict O N H 3 C H 3 C CH 3 H N N O HN N Ki = 0.15 nM 531.66 CC(C)(C)C(=O)N(Cc1cnc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21 Homo sapiens CHEMBL1273692 cell-based format
CHEMBL1770722 OBDepict O HN O N N HN O H N N N H F F F F F Ki = 0.19 nM 591.54 O=C1Nc2ncccc2C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)O1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL238276 OBDepict O N N H H O N N H O N O H N F F F F F Ki = 0.19 nM 596.56 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CCOC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL899870 cell-based format
CHEMBL2024603 OBDepict O N O N O H 3 C N N N H O N H IC50 = 0.21 nM 538.61 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C=O)ccn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL517467 OBDepict H 3 C CH 3 N N O N H O N O CH 3 CH 3 O HN N Ki = 0.21 nM 538.61 Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)c(=O)n2CC(=O)N(C)C Homo sapiens CHEMBL1015393 cell-based format
CHEMBL3655571 OBDepict O NH N O H N H F F N O HN Ki = 0.21 nM 583.64 O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=O Homo sapiens CHEMBL3705091 single protein format
CHEMBL4741882 OBDepict O N H O N N O N H Cl F F F N N H Ki = 0.23 nM 589.02 O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 Homo sapiens CHEMBL4676586 single protein format
CHEMBL2022604 OBDepict O N O N O N N CH 3 H N N H IC50 = 0.24 nM 590.73 Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL2022609 OBDepict O N O N N O N H CH 3 N N H IC50 = 0.24 nM 586.7 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(-c3ccccc3)n[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL570474 OBDepict O NH N CH 3 H O H 3 C H 3 C CH 3 F F N O HN CH 3 O Ki = 0.26 nM 512.56 C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C Homo sapiens CHEMBL1050773 cell-based format
CHEMBL2022599 OBDepict O N O N N O N H CH 3 N N N H IC50 = 0.27 nM 587.68 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(-c3ccncc3)ccn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL3645142 OBDepict CH 3 N H 3 C O N O CH 3 N O HN N Ki = 0.28 nM 531.62 CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C(C)(c2ccccc2)C1=O Homo sapiens CHEMBL3705311 single protein format
CHEMBL564487 OBDepict O N H N CH 3 N H O O HN N Ki = 0.28 nM 479.54 CC12CC(=O)Nc3cccc(c31)N(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)C2 Homo sapiens CHEMBL1060867 cell-based format
CHEMBL1770725 OBDepict O HN O N N N H O H N N H OH CH 3 H 3 C F F Ki = 0.29 nM 566.61 CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL237662 OBDepict H 3 C O N O H H N H F N O F N O N H N Ki = 0.3 nM 542.59 COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O Homo sapiens CHEMBL899870 cell-based format
CHEMBL1090848 OBDepict O N H N O N N N O N H CH 3 O Ki = 0.3 nM 468.47 CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(Cn4c(=O)n5c6c(cccc64)NC(=O)C5)nc3cc1C2 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL1270484 OBDepict F F H N O H 3 C CH 3 N O HN N Ki = 0.3 nM 538.6 CC1(C)CC[C@@H](c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C1=O Homo sapiens CHEMBL1273692 cell-based format
CHEMBL4755081 OBDepict O N H O N N O N H Cl CH 3 CH 3 CH 3 N N H F Ki = 0.31 nM 595.12 CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C1=O Homo sapiens CHEMBL4676586 single protein format
CHEMBL2022598 OBDepict O N O N N O N H N O CH 3 CH 3 CH 3 N N H IC50 = 0.33 nM 581.68 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)N(C)C)ccn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL2022607 OBDepict O N O N N O NH H 3 C N Br N H IC50 = 0.33 nM 589.49 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(Br)n[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL3645138 OBDepict H 3 C N CH 3 O N O N O NH N Ki = 0.34 nM 523.64 CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C2(CCCCCC2)C1=O Homo sapiens CHEMBL3705311 single protein format
CHEMBL564088 OBDepict O N H N N H O O NH N Ki = 0.35 nM 465.51 O=C(CN1CC2CC(=O)Nc3cccc1c32)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1060867 cell-based format
CHEMBL1770714 OBDepict H 3 C O N N H H NH F N O F N O N H N Ki = 0.38 nM 551.6 COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL2024595 OBDepict O N O N N Br O HN CH 3 N N H IC50 = 0.38 nM 589.49 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(Br)n2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL2022608 OBDepict O N O N N O NH H 3 C N Cl N H IC50 = 0.39 nM 545.04 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(Cl)n[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL1770719 OBDepict CH 3 O H 3 C H 3 C N N H H HN F N O F O N H N Ki = 0.4 nM 564.64 COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL4755588 OBDepict O N H O N N O N H Cl CH 3 CH 3 CH 3 N N H Ki = 0.41 nM 577.13 CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O Homo sapiens CHEMBL4676586 single protein format
CHEMBL1090515 OBDepict O N N CH 3 O N N O HN N Ki = 0.41 nM 502.53 CN1C(=O)Cn2c(=O)n(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc1c32 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL3648346 OBDepict F F N CH 3 H O H 3 C H 3 C CH 3 N O HN CH 3 O Ki = 0.43 nM 495.57 C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C Homo sapiens CHEMBL3705068 single protein format
CHEMBL2024599 OBDepict O N O N N O NH CH 3 N N H IC50 = 0.46 nM 560.66 Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc3ccccc3cn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL1770721 OBDepict O N HN H N N N O HN H N F F F F F Ki = 0.48 nM 575.54 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)nnc21)N1CCC2(CC1)C(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL3645144 OBDepict F F H N N H O N O HN N Ki = 0.49 nM 579.65 O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCNC12CCCC2 Homo sapiens CHEMBL3705311 single protein format
CHEMBL2024594 OBDepict O N N H N N Br O HN CH 3 N N H IC50 = 0.49 nM 588.51 Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(Br)n2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL392636 OBDepict O N NH H O N N H O N S H N F O O CH 3 F Ki = 0.5 nM 590.65 CS(=O)(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O Homo sapiens CHEMBL899870 cell-based format
CHEMBL2431250 OBDepict F F CH 3 N N CH 3 O O HN N Ki = 0.5 nM 570.68 CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 Homo sapiens CHEMBL2434392 cell-based format
CHEMBL392634 OBDepict O N HN H O N N H O N N H N F F O Ki = 0.5 nM 597.67 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CCN2CCOCC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL899870 cell-based format
CHEMBL453643 OBDepict O N H N O N N H O N O N H CH 3 O Ki = 0.51 nM 460.45 CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)C4)cc1C2 Homo sapiens CHEMBL956592 cell-based format
CHEMBL466192 OBDepict CH 3 NH N N O O N H O N O HN CH 3 O Ki = 0.51 nM 474.48 Cc1cc2c3c(c1)n(CC(=O)Nc1ccc4c(c1)C[C@]1(C4)C(=O)NC(=O)N1C)c(=O)n3CC(=O)N2 Homo sapiens CHEMBL1015393 cell-based format
CHEMBL1092838 OBDepict O N H H 3 C N N N O N H CH 3 O Ki = 0.52 nM 467.53 CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c65)nc3cc1C2 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL4754995 OBDepict O N H O N O N Cl F F F H N N H Ki = 0.54 nM 586.01 O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(c2cc3ccccc3[nH]c2=O)CC1 Homo sapiens CHEMBL4676586 single protein format
CHEMBL569340 OBDepict O NH N O H 3 C H 3 C CH 3 F F N O HN CH 3 O Ki = 0.55 nM 498.53 CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc1C2 Homo sapiens CHEMBL1050773 cell-based format
CHEMBL1092837 OBDepict O N H N N O HN N Ki = 0.55 nM 473.54 O=C1CC2CN(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1 Homo sapiens CHEMBL1106145 cell-based format
CHEMBL1770716 OBDepict O N HN H N N O HN H N F F F F F Ki = 0.61 nM 574.55 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL518422 OBDepict O N H N O N N N O NH N Ki = 0.61 nM 503.52 O=C(Cn1c(=O)n(-c2ccncn2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1015393 cell-based format
CHEMBL1770718 OBDepict H 3 C O N N H H NH F N O F O N H N Ki = 0.62 nM 536.58 COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12 Homo sapiens CHEMBL1772121 single protein format
CHEMBL2178421 OBDepict O N O H N N H H OH O N H N F F Ki = 0.67 nM 535.55 O=C(O[C@@H]1CC[C@H](c2cccc(F)c2F)[C@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL2183300 cell-based format
CHEMBL1770568 OBDepict O N N H H N N N H O N CH 3 CH 3 H N F F Ki = 0.69 nM 549.63 CC(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 Homo sapiens CHEMBL1772121 single protein format
CHEMBL1270197 OBDepict F F N O H 3 C CH 3 H 3 C N O NH N Ki = 0.69 nM 526.59 CC(C)(C)C(=O)N(Cc1cc(F)cc(F)c1)Cc1cnc2cc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1273692 cell-based format
CHEMBL415263 OBDepict H 3 C S N O H H N H F N O F N O N H N Ki = 0.7 nM 558.66 CSCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O Homo sapiens CHEMBL899870 cell-based format
CHEMBL4740622 OBDepict O N H O N O N Cl H 3 C H 3 C H 3 C H N N H Ki = 0.75 nM 574.13 CC(C)(C)CN1Cc2c(cc(Cl)c3[nH]ncc23)C[C@@H](CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1=O Homo sapiens CHEMBL4676586 single protein format
CHEMBL236593 OBDepict O N N H H O N N H OH N F F F N F F Ki = 0.77 nM 566.53 O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1 Homo sapiens CHEMBL899870 cell-based format
CHEMBL3645140 OBDepict F F H N O N O NH N Ki = 0.77 nM 564.64 O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCC12CCCC2 Homo sapiens CHEMBL3705311 single protein format
CHEMBL2024598 OBDepict O N N H N N O NH CH 3 N N H IC50 = 0.82 nM 559.67 Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc3ccccc3cn2)cc2cn[nH]c12 Homo sapiens CHEMBL2025456 cell-based format
CHEMBL583679 OBDepict O NH N H 3 C H O H 3 C CH 3 H 3 C N O N H H 3 C O Ki = 0.83 nM 476.58 C[C@H](c1ccccc1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C)C(=O)C(C)(C)C Homo sapiens CHEMBL1050773 cell-based format
CHEMBL464078 OBDepict O N H N O N S O HN N Ki = 0.87 nM 525.63 O=C(Cn1c(=O)n(C2CCSCC2)c2ccccc21)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 Homo sapiens CHEMBL1015393 cell-based format