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Q8NBP7 | PCSK9_HUMAN | Proprotein convertase subtilisin/kexin type 9 (PCSK9)

3D structures mapped by conservation among orthologs

[ Domain: "Subtilisin-like" // Peptidase_S8 ]

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[ Domain: "Resistin" // PCSK9_C-CRD_2nd ]

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[ Domain: "Resistin" // PCSK9_C-CRD_1st ]

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[ Domain: "Resistin" // PCSK9_C-CRD_3rd ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4572783 OBDepict F N H N H F IC50 = 201.7 nM 282.29 Fc1ccc2[nH]c(Cc3c[nH]c4c(F)cccc34)cc2c1 Homo sapiens CHEMBL4434275 cell-based format
CHEMBL4549362 OBDepict F N H N H Cl IC50 = 250.0 nM 298.75 Fc1ccc2[nH]c(Cc3c[nH]c4c(Cl)cccc34)cc2c1 Homo sapiens CHEMBL4434276 cell-based format
CHEMBL4562557 OBDepict H N N H F IC50 = 300.0 nM 264.3 Fc1cccc2c(Cc3cc4ccccc4[nH]3)c[nH]c12 Homo sapiens CHEMBL4434276 cell-based format
CHEMBL4107804 OBDepict O N H N N H CH 3 N N N IC50 = 440.0 nM 412.5 Cc1cccnc1N(C(=O)c1ccc(-c2cnn3cccnc23)cc1)[C@@H]1CCCNC1 Homo sapiens CHEMBL3887821 cell-based format
CHEMBL4458097 OBDepict O N H N H O O N O IC50 = 500.0 nM 473.49 O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL4383971 single protein format
CHEMBL4109014 OBDepict CH 3 O CH 3 O O N H 3 C N N N N H 3 C N N O H N NH H 3 C IC50 = 592.0 nM 573.66 Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2-c2nnn(C(C)OC(=O)OC(C)C)n2)cc1)[C@@H]1CCCNC1 Homo sapiens CHEMBL3887821 cell-based format
CHEMBL4114106 OBDepict CH 3 O O N CH 3 N N O H N NH Cl IC50 = 640.0 nM 453.93 COC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)cnn1C Homo sapiens CHEMBL3887821 cell-based format
CHEMBL4107907 OBDepict O N H N N H Cl N N N IC50 = 690.0 nM 432.92 O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1 Homo sapiens CHEMBL3887821 cell-based format
CHEMBL4108330 OBDepict CH 3 O O N CH 3 N N O H N NH H 3 C IC50 = 800.0 nM 433.51 COC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)cnn1C Homo sapiens CHEMBL3887821 cell-based format
CHEMBL4114159 OBDepict CH 3 N N N N N O H N N H Cl IC50 = 800.0 nM 447.93 Cc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)cc1 Homo sapiens CHEMBL3887820 assay format
CHEMBL4109308 OBDepict O N H N N H Cl N N N N IC50 = 800.0 nM 433.9 O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1 Homo sapiens CHEMBL3887820 assay format
CHEMBL4585306 OBDepict H N N H H 3 C IC50 = 900.0 nM 260.34 Cc1cccc2c(Cc3cc4ccccc4[nH]3)c[nH]c12 Homo sapiens CHEMBL4434276 cell-based format
CHEMBL31523 OBDepict CH 3 B HO Ki = 1000.0 nM 162.04 CCCCB(O)c1ccccc1 Homo sapiens CHEMBL813408 single protein format