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Q96D31 | CRCM1_HUMAN | Calcium release-activated calcium channel protein 1 (ORAI1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3984105 OBDepict CH 3 O O CH 3 N CH 3 O F N IC50 = 26.0 nM 366.39 COc1ccc(OC)c(-c2ccc(N(C)C(=O)c3ccncc3F)cc2)c1 Homo sapiens CHEMBL3870014 assay format
CHEMBL3699940 OBDepict O N H N N N N N F F F IC50 = 39.17 nM 426.4 O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699935 OBDepict O N H N N N N N IC50 = 51.31 nM 398.47 O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699939 OBDepict O N H N N N N F F F IC50 = 53.36 nM 423.4 O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2nccnc2c1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699938 OBDepict O N H N N N F F F IC50 = 86.12 nM 422.41 O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2ncccc2c1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3403744 OBDepict F Cl N H N N H 3 C N F F F IC50 < 100.0 nM 394.76 Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 Homo sapiens CHEMBL3405048 cell-based format
CHEMBL3403751 OBDepict CH 3 O N CH 3 N N H F Cl IC50 = 104.0 nM 367.81 COc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1 Homo sapiens CHEMBL3405048 cell-based format
CHEMBL3699941 OBDepict O N H N N N N N F F F IC50 = 139.0 nM 426.4 O=C(Cn1nc2ccccc2n1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699936 OBDepict O N H N N N IC50 = 146.7 nM 408.51 O=C(Cc1ccc2ncccc2c1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699942 OBDepict O N H N N N F N N F F F IC50 = 160.5 nM 444.39 O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699933 OBDepict O N H N N H N N N IC50 = 182.5 nM 384.44 O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccc2nn[nH]c2c1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699937 OBDepict O N H F N N N IC50 = 263.2 nM 426.5 O=C(Cc1ccc2ncccc2c1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3699934 OBDepict O N H N N N N IC50 = 383.1 nM 397.48 O=C(Cn1cnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 Homo sapiens CHEMBL3706248 cell-based format
CHEMBL3403753 OBDepict CH 3 O N O CH 3 N N H F Cl IC50 = 440.0 nM 383.81 COc1cc(OC)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1 Homo sapiens CHEMBL3405048 cell-based format