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P41180 | CASR_HUMAN | Extracellular calcium-sensing receptor (CASR)

3D structures mapped by conservation among orthologs

[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_2nd ]

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[ Domain: "Periplasmic binding protein-like I" // ANF_receptor_2nd_1 ]

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[ Domain: "TNF receptor-like" // NCD3G ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1204009 OBDepict H 3 C O O O N OH H N H H 3 C CH 3 ClH IC50 = 0.003 nM 511.06 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl Homo sapiens CHEMBL1055305 cell-based format
CHEMBL382741 OBDepict N O OH H N H H 3 C H 3 C IC50 = 0.003 nM 374.48 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N Homo sapiens CHEMBL1055305 cell-based format
CHEMBL570593 OBDepict N O HO H O OH N H CH 3 CH 3 IC50 = 0.022 nM 446.55 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(=O)O)cc1C#N Homo sapiens CHEMBL1055305 cell-based format
CHEMBL2112075 OBDepict N O Cl OH H N H H 3 C H 3 C ClH IC50 = 3.0 nM 445.39 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N.Cl Homo sapiens CHEMBL939872 cell-based format
CHEMBL572163 OBDepict OH O O OH H N H CH 3 CH 3 IC50 = 4.8 nM 421.54 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(=O)O)cc1 Homo sapiens CHEMBL1055305 cell-based format
CHEMBL2368751 OBDepict F CH 3 NH CH 3 H 3 C OH H O H 3 C H H H H H H H O OH IC50 = 25.0 nM 509.66 Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@H]2[C@@H]2[C@H]3[C@H]2C(=O)O)cc1F Homo sapiens CHEMBL1120576 single protein format
CHEMBL486278 OBDepict CH 3 O N H H 3 C H 3 C OH H O N H N O H IC50 = 31.8 nM 385.46 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 Homo sapiens CHEMBL1055305 cell-based format
CHEMBL180672 OBDepict N O Cl HO H N H CH 3 CH 3 IC50 = 43.0 nM 408.93 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N Homo sapiens CHEMBL827983 cell-based format
CHEMBL487507 OBDepict CH 3 O N H H 3 C CH 3 HO H O Cl Cl IC50 = 68.0 nM 398.33 COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL523475 OBDepict CH 3 O N H H 3 C CH 3 HO O N Cl IC50 = 70.0 nM 388.89 COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL1084513 OBDepict N O OH H N H O OH H 3 C H 3 C IC50 = 73.0 nM 436.55 CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)ccc1C#N Homo sapiens CHEMBL1120576 single protein format
CHEMBL195711 OBDepict F N O N H 3 C CH 3 CH 3 OH IC50 = 95.0 nM 366.44 Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C(C)C Homo sapiens CHEMBL828597 single protein format
CHEMBL1083694 OBDepict CH 3 CH 3 N O N OH F IC50 = 97.0 nM 402.47 CCc1cc2c(=O)n(CCc3ccccc3F)c(-c3ccccc3O)nc2cc1C Homo sapiens CHEMBL1120576 single protein format
CHEMBL194764 OBDepict H 3 C H 3 C N O N HO F IC50 = 97.0 nM 352.41 CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O Homo sapiens CHEMBL828597 single protein format
CHEMBL195859 OBDepict CH 3 CH 3 N O N OH IC50 = 100.0 nM 334.42 CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O Homo sapiens CHEMBL828597 single protein format
CHEMBL195305 OBDepict F N O N CH 3 OH IC50 = 120.0 nM 364.42 Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1 Homo sapiens CHEMBL828597 single protein format
CHEMBL195566 OBDepict CH 3 CH 3 N O N OH F IC50 = 140.0 nM 366.44 CCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O Homo sapiens CHEMBL828597 single protein format
CHEMBL369998 OBDepict O N N OH IC50 = 140.0 nM 348.45 O=C1C2CCCCC2N=C(c2ccccc2O)N1CCc1ccccc1 Homo sapiens CHEMBL828597 single protein format
CHEMBL504479 OBDepict CH 3 O N H H 3 C CH 3 HO O N IC50 = 140.0 nM 354.45 COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL194490 OBDepict F N O N HO IC50 = 160.0 nM 366.44 O=C1C2CCCCC2N=C(c2ccccc2O)N1CCc1cccc(F)c1 Homo sapiens CHEMBL828597 single protein format
CHEMBL193498 OBDepict F N O N CH 3 H 3 C HO IC50 = 170.0 nM 338.38 Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C Homo sapiens CHEMBL828597 single protein format
CHEMBL180463 OBDepict F N N O HO F IC50 = 190.0 nM 378.38 O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccc(F)c1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL491251 OBDepict CH 3 O N H H 3 C CH 3 HO O Cl Cl IC50 = 200.0 nM 398.33 COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL370503 OBDepict O N N HO IC50 = 200.0 nM 334.42 O=C1C2CCCC2N=C(c2ccccc2O)N1CCc1ccccc1 Homo sapiens CHEMBL828597 single protein format
CHEMBL371828 OBDepict H 3 C H 3 C N O N HO IC50 = 200.0 nM 320.39 Cc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1C Homo sapiens CHEMBL828597 single protein format
CHEMBL195375 OBDepict F N O N HO IC50 = 200.0 nM 352.41 O=C1C2CCCC2N=C(c2ccccc2O)N1CCc1cccc(F)c1 Homo sapiens CHEMBL828597 single protein format
CHEMBL488736 OBDepict OH HN O CH 3 CH 3 IC50 = 210.0 nM 349.47 CC(C)(Cc1cccc2ccccc12)NCC(O)COc1ccccc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL183287 OBDepict F N O N OH IC50 = 210.0 nM 360.39 O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1ccccc1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL361623 OBDepict HO N N O CH 3 IC50 = 250.0 nM 356.43 Cc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12 Homo sapiens CHEMBL827983 cell-based format
CHEMBL360226 OBDepict F N N O HO CH 3 IC50 = 250.0 nM 374.42 Cc1cccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c12 Homo sapiens CHEMBL827983 cell-based format
CHEMBL361333 OBDepict Cl N O N OH IC50 = 300.0 nM 376.84 O=c1c2cc(Cl)ccc2nc(-c2ccccc2O)n1CCc1ccccc1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL487508 OBDepict CH 3 O N H H 3 C CH 3 HO H O Cl Cl IC50 = 300.0 nM 398.33 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL180030 OBDepict OH N N O IC50 = 300.0 nM 342.4 O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL180057 OBDepict F N N O OH CH 3 IC50 = 520.0 nM 374.42 Cc1ccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c2c1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL1084514 OBDepict CH 3 O O O N OH H N H CH 3 H 3 C IC50 = 520.0 nM 464.61 CCOC(=O)CCc1ccc(C#N)c(OC[C@H](O)CNC(C)(C)CC2Cc3ccccc3C2)c1 Homo sapiens CHEMBL1120576 single protein format
CHEMBL361316 OBDepict F N O N HO IC50 = 600.0 nM 360.39 O=c1c2ccc(F)cc2nc(-c2ccccc2O)n1CCc1ccccc1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL179907 OBDepict CH 3 N N O OH IC50 = 700.0 nM 356.43 Cc1cccc2c(=O)n(CCc3ccccc3)c(-c3ccccc3O)nc12 Homo sapiens CHEMBL827983 cell-based format
CHEMBL180250 OBDepict Cl N N O HO IC50 = 800.0 nM 376.84 O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1cccc(Cl)c1 Homo sapiens CHEMBL827983 cell-based format
CHEMBL195045 OBDepict OH N N O CH 3 F F F IC50 = 800.0 nM 374.36 Cc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O Homo sapiens CHEMBL828597 single protein format
CHEMBL520396 OBDepict CH 3 O N H H 3 C CH 3 O Cl Cl IC50 = 930.0 nM 382.33 COc1ccc(CC(C)(C)NCCCOc2cccc(Cl)c2Cl)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL488738 OBDepict CH 3 O O N H CH 3 CH 3 O CH 3 Cl Cl IC50 = 950.0 nM 412.36 COc1ccc(CC(C)(C)NCC(COc2cccc(Cl)c2Cl)OC)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL521907 OBDepict CH 3 O N H H 3 C CH 3 HO O Cl IC50 = 1000.0 nM 363.88 COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL939872 cell-based format
CHEMBL488997 OBDepict CH 3 O N H H 3 C CH 3 HO O Cl IC50 = 1000.0 nM 363.88 COc1ccc(CC(C)(C)NCC(O)COc2ccccc2Cl)cc1 Homo sapiens CHEMBL939872 cell-based format