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P05121 | PAI1_HUMAN | Plasminogen activator inhibitor 1 (SERPINE1)

3D structures mapped by conservation among orthologs

[ Domain: "Serpins" // Serpin ]

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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
CHEMBL3669191 OBDepict H O O H O O OH HO OH OH HO HO IC50 = 50.0 nM 420.37 O=C(O[C@H]1CC[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)CC1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL3669189 OBDepict H O H O O O HO HO HO HO HO HO IC50 = 50.0 nM 420.37 O=C(O[C@H]1CCC[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL3669200 OBDepict O O HN H 3 C CH 3 H 3 C O O O O OH HO HO OH HO OH IC50 = 70.0 nM 495.44 CC(C)(C)OC(=O)NCC(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL3669193 OBDepict HO HO S NH O O HN S O O OH OH IC50 = 90.0 nM 376.37 O=S(=O)(NNS(=O)(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL87654 OBDepict OH O O N H O N O H HN O S IC50 = 200.0 nM 573.67 O=C(O)CCCCCCCOc1ccc(/C=c2[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Homo sapiens CHEMBL766350 single protein format
CHEMBL2087115 OBDepict H O H O O O OH OH OH HO OH OH IC50 = 280.0 nM 420.37 O=C(O[C@H]1CCCC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL596879 OBDepict H 3 C N S S O O O O HO HO HO OH IC50 = 284.0 nM 445.52 CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1 Homo sapiens CHEMBL1072391 single protein format
CHEMBL10004 OBDepict O N H HO N OH O S N N N N IC50 = 290.0 nM 594.7 O=C(Nc1ccc(OCCCCCCCn2cnnn2)cc1)c1c(O)nc2ccc(-c3cc4ccccc4s3)cc2c1O Homo sapiens CHEMBL847120 single protein format
CHEMBL77246 OBDepict H N O N O H N O N IC50 = 300.0 nM 426.48 O=c1[nH]/c(=Cc2ccccn2)c(=O)[nH]/c1=Cc1ccc(OCCCc2cccnc2)cc1 Homo sapiens CHEMBL766349 single protein format
CHEMBL10181 OBDepict OH O O N H O OH N OH S IC50 = 300.0 nM 570.67 O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(-c4cc5ccccc5s4)ccc3c2O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL2087114 OBDepict O O OH HO O HO O HO OH OH IC50 = 370.0 nM 366.28 O=C(OCCOC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3705870 single protein format
CHEMBL419935 OBDepict O N H O + N H O O _ O H H H 3 C CH 3 CH 3 O OH IC50 = 380.0 nM 470.52 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL759845 single protein format
CHEMBL114144 OBDepict O N H O + N H O O _ O H H H 3 C CH 3 CH 3 O HO IC50 = 400.0 nM 470.52 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(C(=O)O)c2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL766346 single protein format
CHEMBL10014 OBDepict OH O O N H O OH N OH S IC50 = 500.0 nM 570.67 O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4cc5ccccc5s4)cc3c2O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL111847 OBDepict CH 3 O O N N H O OH N H O O H H H H 3 C CH 3 H 3 C IC50 = 500.0 nM 575.71 COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(=O)O Homo sapiens CHEMBL766346 single protein format
CHEMBL10062 OBDepict OH O O N H O N O H HN O S IC50 = 510.0 nM 573.67 O=C(O)CCCCCCCOc1ccc(/C=c2/[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Homo sapiens CHEMBL847120 single protein format
CHEMBL10240 OBDepict HO O O N H O OH N OH S IC50 = 510.0 nM 570.67 O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4csc5ccccc45)cc3c2O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL86470 OBDepict O N H N O OH H O N O H HN O S IC50 = 520.0 nM 586.67 O=C(O)CCCCCCC(=O)Nc1ccc(/C=c2[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1 Homo sapiens CHEMBL766350 single protein format
CHEMBL601265 OBDepict OH OH S N O O S O O OH HO IC50 = 594.0 nM 443.5 O=S(=O)(c1ccc(O)c(O)c1)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1 Homo sapiens CHEMBL1072391 single protein format
CHEMBL311452 OBDepict O N H N H O N S O N IC50 = 600.0 nM 432.51 O=c1[nH]/c(=Cc2nccs2)c(=O)[nH]/c1=Cc1ccc(OCCCc2cccnc2)cc1 Homo sapiens CHEMBL766349 single protein format
CHEMBL9867 OBDepict OH O O N H O OH N OH IC50 = 600.0 nM 564.64 O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(-c4ccc5ccccc5c4)ccc3c2O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL593190 OBDepict CH 3 O N H O O O HO IC50 = 650.0 nM 413.43 COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=Cc1ccc(/C=C/C(=O)O)o1 Homo sapiens CHEMBL1071901 single protein format
CHEMBL10263 OBDepict OH O O HN O OH N OH IC50 = 670.0 nM 564.64 O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4ccc5ccccc5c4)cc3c2O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL275779 OBDepict Cl N O OH N H O O N N N N IC50 = 690.0 nM 510.98 O=C(Nc1ccc(OCCCCCCCn2cnnn2)cc1)C1=C(O)CN(c2ccc(Cl)cc2)C1=O Homo sapiens CHEMBL847119 single protein format
CHEMBL605291 OBDepict H 3 C O O CH 3 O N H S O O HO IC50 = 690.0 nM 449.48 COc1ccc(C2=C(c3cccs3)/C(=C/c3ccc(/C=C/C(=O)O)o3)NC2=O)cc1OC Homo sapiens CHEMBL1071901 single protein format
CHEMBL324330 OBDepict CH 3 O O N H O OH NH 2 N H O O H H H H 3 C CH 3 H 3 C IC50 = 700.0 nM 589.73 COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ccc(N)cc1C(=O)O Homo sapiens CHEMBL766346 single protein format
CHEMBL114953 OBDepict O N H O H H H H 3 C CH 3 H 3 C N H F O HO O OH IC50 = 710.0 nM 578.68 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2c(F)cccc2Oc2c(O)cccc2C(=O)O)cc1 Homo sapiens CHEMBL766346 single protein format
CHEMBL326348 OBDepict O N H O H H H H 3 C CH 3 H 3 C N H O + N O _ O O OH IC50 = 710.0 nM 589.69 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cc([N+](=O)[O-])ccc2Oc2ccccc2C(=O)O)cc1 Homo sapiens CHEMBL766346 single protein format
CHEMBL445317 OBDepict OH O N + N N O _ O F F F N F F F IC50 = 880.0 nM 546.47 O=C(O)C1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 Homo sapiens CHEMBL759845 single protein format
CHEMBL324919 OBDepict O NH O + N H N O _ O H H H 3 C H 3 C CH 3 O HO IC50 = 890.0 nM 461.56 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCCC(C(=O)O)C2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL766346 single protein format
CHEMBL10135 OBDepict CH 3 N O HO N H O O N N N N IC50 = 890.0 nM 490.56 Cc1ccc(N2CC(O)=C(C(=O)Nc3ccc(OCCCCCCCn4cnnn4)cc3)C2=O)cc1 Homo sapiens CHEMBL847119 single protein format
CHEMBL4215648 OBDepict Cl HN O HO O IC50 = 900.0 nM 401.85 O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cccc3ccccc23)c1 Homo sapiens CHEMBL4187618 single protein format
CHEMBL321224 OBDepict O N H O + N H NH O _ O H H H 3 C CH 3 CH 3 H H O HO IC50 = 900.0 nM 475.59 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N[C@H]2CC[C@@H](C(=O)O)CC2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL766346 single protein format
CHEMBL165205 OBDepict HO O NH N F F F + N O _ O N F F F IC50 = 900.0 nM 506.4 O=C(O)CCNc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F Homo sapiens CHEMBL759845 single protein format
CHEMBL10230 OBDepict N N OH HO N H O O O HO IC50 = 900.0 nM 463.49 N#Cc1ccc2c(O)c(C(=O)Nc3ccc(OCCCCCCCC(=O)O)cc3)c(O)nc2c1 Homo sapiens CHEMBL847119 single protein format
CHEMBL352133 OBDepict OH O N N F F F + N O _ O N F F F IC50 = 910.0 nM 546.47 O=C(O)C1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1 Homo sapiens CHEMBL759845 single protein format
CHEMBL595977 OBDepict H 3 C O N H O O H 3 C IC50 = 940.0 nM 357.41 COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=Cc1ccc(C)o1 Homo sapiens CHEMBL1071901 single protein format
CHEMBL112242 OBDepict O NH O + N H N O _ O H H H 3 C H 3 C CH 3 O HO IC50 = 940.0 nM 461.56 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC(C(=O)O)CC2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL766346 single protein format
CHEMBL73874 OBDepict O N H N OH OH O O F F F IC50 = 1000.0 nM 456.38 O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1nc(O)c2ccccc2c1O Homo sapiens CHEMBL766349 single protein format
CHEMBL76604 OBDepict H N O N O H O N IC50 = 1000.0 nM 425.49 O=c1[nH]/c(=Cc2ccc(OCCCc3cccnc3)cc2)c(=O)[nH]/c1=Cc1ccccc1 Homo sapiens CHEMBL766349 single protein format