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P00740 | FA9_HUMAN | Coagulation factor IX (F9)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]

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[ Domain: "EGF/Laminin" // hEGF_3 ]

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[ Domain: "EGF/Laminin" // hEGF ]

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[ Domain: "EGF/Laminin" // FXa_inhibition ]

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[ Domain: "GLA-domain" // Gla_1 ]

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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
CHEMBL4115159 OBDepict O N H N F F Cl H CH 3 O HN O HO H 2 N Ki < 0.05 nM 581.02 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(C(=O)O)c(N)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4113941 OBDepict O N H H CH 3 F H N N O F N Cl N N N Ki < 0.05 nM 590.03 C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4112773 OBDepict O N H N F N Cl N N N H H 3 C O N H Ki = 0.05 nM 572.04 C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4113824 OBDepict H 3 C O HN O HN O H H 3 C N H N O F N H 3 C Ki = 0.09 nM 581.65 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C#N)ccc(C)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4112648 OBDepict CH 3 O HN O N H N O CH 3 N H H 3 C H H N O F F Cl Ki = 0.2 nM 598.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1nc-2c(C)[nH]1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4114880 OBDepict H 3 C O HN O HN O H H 3 C N H N O CH 3 F Cl Ki = 0.23 nM 591.08 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4109665 OBDepict O N H N F F Cl H CH 3 O HN N H O Ki = 0.31 nM 589.04 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc3ccc(=O)[nH]c3cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4112483 OBDepict H 2 N HN O H H 3 C N H N O F F Cl Ki = 0.56 nM 534.99 C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3629114 OBDepict CH 3 N O OH HN O Cl Cl N N N H 3 C Ki = 0.6 nM 574.47 Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3629111 OBDepict H 3 C N O HO N H O Cl N N N Ki = 0.6 nM 526.0 Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4113149 OBDepict H 3 C O HN O HN O H H 3 C N H N O CH 3 Cl Ki = 0.62 nM 573.09 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3C)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4114872 OBDepict O HN HN O H H 3 C N H N O F F Cl Ki = 0.72 nM 591.06 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc3c(cc2NC1=O)NC(=O)CC3 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628964 OBDepict OH O N CH 3 N H O Cl Cl N N N Ki = 0.8 nM 586.48 Cc1ccc2c(c1)c(/C=C/C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4109928 OBDepict CH 3 O N H O NH N O CH 3 N H H 3 C H H N O F Cl Ki = 0.84 nM 580.06 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3F)=CC1=O)c1nc-2c(C)[nH]1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4110103 OBDepict CH 3 O N H O NH O H CH 3 N H N O N F Cl Ki = 0.92 nM 578.04 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4110267 OBDepict N F Cl N O H N H H 3 C O N H F Ki = 0.99 nM 547.01 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3627899 OBDepict F H N N N H H O O F CH 3 Cl Cl N N N CH 3 Ki = 1.0 nM 569.4 Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3nc4c(F)ccc(C)c4c(=O)[nH]3)c(Cl)c2)n1 Homo sapiens CHEMBL3630982 single protein format
CHEMBL4112300 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 1.0 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccc(F)c2F)NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4108491 OBDepict N F Cl N O H N H H 3 C O N H Ki = 1.06 nM 529.02 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628961 OBDepict CH 3 N O NH 2 HN O Cl Cl N N N Ki = 1.2 nM 559.46 Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4108998 OBDepict HO HN O H H 3 C N H N O F F Cl Ki = 1.25 nM 537.99 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(O)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4111951 OBDepict O N H N F F Cl H CH 3 O HN F H 2 N Ki = 1.31 nM 555.0 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(N)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4111619 OBDepict H N N N N NH O N H H 3 C H N O F F Cl Ki = 1.34 nM 590.03 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(-c3nn[nH]n3)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4109841 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F H 3 C Ki = 1.42 nM 574.63 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(C)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4106988 OBDepict H 2 N HN O H H 3 C N H N O F F Cl Ki = 1.5 nM 537.01 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4114452 OBDepict O NH H CH 3 F H N N O N Cl N N Ki = 1.6 nM 571.06 C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4112089 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F Cl Ki = 1.66 nM 595.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC=C(c3c(F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4114271 OBDepict Cl N N N N O H N H H 3 C O HN Ki = 1.68 nM 553.07 C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3cncn3)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628954 OBDepict H 3 C N H O N N Cl Cl N CH 3 N N CH 3 Ki = 1.8 nM 545.47 Cc1cccc([C@@]2(NC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3774670 OBDepict CH 3 N N N Cl Cl N H O H N F N HO H CH 3 IC50 = 1.86 nM 539.4 Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccc(O)c(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1 Homo sapiens CHEMBL3778013 single protein format
CHEMBL597557 OBDepict CH 3 CH 3 N H N H O O O S HN H 2 N Ki = 2.0 nM 516.67 CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL4113610 OBDepict N F Cl N O H N H H 3 C O N H O H 2 N Ki = 2.02 nM 572.04 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4109436 OBDepict O N H N Br F Cl H CH 3 O HN Ki = 2.08 nM 582.9 C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628838 OBDepict H 3 C N H O N N Cl N CH 3 N N H 3 C Ki = 2.1 nM 511.03 Cc1cccc([C@@]2(NC(=O)c3ccc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4110549 OBDepict Cl N N N N O H N H H 3 C O HN Ki = 2.28 nM 553.07 C[C@@H]1CCC[C@H](N2CCC(c3cc(Cl)ccc3-n3ccnn3)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628965 OBDepict CH 3 N N N N N N H H O Cl Cl N N N Ki = 2.4 nM 584.47 Cc1ccc2c(c1)c(-c1nn[nH]n1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3628962 OBDepict HO N N CH 3 N H O Cl Cl N N N Ki = 2.4 nM 559.46 Cc1ccc2c(c1)c(/C=N/O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4114878 OBDepict HO O HN O N H H 3 C H N O F F Cl Ki = 2.45 nM 566.0 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(C(=O)O)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3629112 OBDepict H 3 C N O HO N H O N Cl N N N Ki = 2.5 nM 526.98 Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2ncc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4108942 OBDepict H 3 C O HN O HN O H H 3 C N H N O O Cl CH 3 Ki = 2.56 nM 589.09 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3OC)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3629110 OBDepict H 3 C N O NH 2 N H O Cl N N N Ki = 2.6 nM 525.01 Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4108223 OBDepict H 3 C O HN O HN O H H 3 C N H N O F N Ki = 2.64 nM 567.62 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)cccc3C#N)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4113209 OBDepict O N H NH O N H H 3 C H N O F F Cl Ki = 2.68 nM 577.03 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc3c(cc2NC1=O)NC(=O)C3 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628835 OBDepict HO O N CH 3 N H O Cl N N N H 3 C Ki = 2.7 nM 568.08 Cc1ccc2c(c1)c(CCC(=O)O)c1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4106609 OBDepict H N N F Cl N O H N H CH 3 O HN Ki = 2.73 nM 570.07 C[C@@H]1CCC[C@H](N2CCC(c3c(-c4cn[nH]c4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4113815 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 2.75 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(F)cc(F)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3627894 OBDepict CH 3 O Cl N N H H N H F O Cl Cl N N N CH 3 Ki = 2.9 nM 573.84 COc1cc2nc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)c3cccc(F)c3)[nH]c2cc1Cl Homo sapiens CHEMBL3630982 single protein format
CHEMBL3628963 OBDepict OH O N CH 3 N H O Cl Cl N N N Ki = 2.9 nM 574.47 Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4115178 OBDepict O N H N F Cl F F F H CH 3 O HN Ki = 2.98 nM 572.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C(F)(F)F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL596968 OBDepict CH 3 O N H O O O H S NH H 2 N Ki = 3.0 nM 461.54 COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL604954 OBDepict H 3 C HN CH 3 N H 3 C N N H CH 3 O O O S NH NH 2 Ki = 3.0 nM 520.66 Cc1nn(C)c(CNC(C)C)c1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL596950 OBDepict CH 3 O O O S S NH H 2 N Ki = 3.0 nM 422.53 COC(=O)C(Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1cccs1 Homo sapiens CHEMBL1069647 single protein format
CHEMBL597759 OBDepict O HN O O N HN S NH H 2 N Ki = 3.0 nM 529.67 N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL598989 OBDepict CH 3 N H N H O O O S HN H 2 N Ki = 3.0 nM 474.59 CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL3628947 OBDepict H 3 C O N H O N N Cl N H 3 C N N CH 3 Ki = 3.0 nM 527.03 COc1cccc([C@@]2(NC(=O)c3ccc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3628949 OBDepict Cl N H O N N Cl Cl N CH 3 N N CH 3 Ki = 3.1 nM 565.89 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(Cl)c1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4109163 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 3.26 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL3627900 OBDepict F H N N H H O O F CH 3 Cl Cl N N N H 3 C Ki = 3.3 nM 568.41 Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3cc(=O)c4c(C)ccc(F)c4[nH]3)c(Cl)c2)n1 Homo sapiens CHEMBL3630982 single protein format
CHEMBL4112391 OBDepict O N H H CH 3 H N N O F Cl N N CH 3 Ki = 3.31 nM 584.1 C[C@@H]1CCC[C@H](N2CCC(c3c(-c4cnn(C)c4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL4247345 OBDepict O N H Cl CH 3 N N N N HO CH 3 O HO Ki = 3.5 nM 529.98 Cc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccc(-n2cnc4cc(C(=O)O)ccc42)cc1Cl)C3 Homo sapiens CHEMBL4229798 single protein format
CHEMBL4109421 OBDepict H 3 C NH O N H O H H 3 C N H N O F F Cl Ki = 3.54 nM 579.05 CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3627864 OBDepict O N H Cl Cl H N N N H N N H 3 C H 3 C Ki = 3.6 nM 505.41 Cc1cc2nc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnnc4)cc3Cl)c3ccccc3)[nH]c2cc1C Homo sapiens CHEMBL3630982 single protein format
CHEMBL3627898 OBDepict F H HN N O N H CH 3 Cl Cl N N N CH 3 Ki = 3.7 nM 523.4 Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3cnc4[nH]c(C)cc4c3)c(Cl)c2)n1 Homo sapiens CHEMBL3630982 single protein format
CHEMBL597143 OBDepict CH 3 N H 3 C O N H O O O S NH NH 2 Ki = 4.0 nM 518.64 CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL599394 OBDepict NH 2 HN O O O S NH H 2 N Ki = 4.0 nM 460.56 N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL3964855 OBDepict H 3 C O N H H N N O O NH 2 F O CH 3 Cl Ki = 4.17 nM 589.07 CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCCC(C)C(=O)Nc3cc(C(N)=O)ccc3-c3ccnc2c3)CC1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL186761 OBDepict Cl N N F N H O N N F F F HN H 2 N Ki = 4.2 nM 541.9 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)ccc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL3628951 OBDepict F N H O N N Cl Cl N CH 3 N N CH 3 Ki = 4.2 nM 549.44 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1ccc(F)cc1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL601241 OBDepict NH 2 HN O O O F S NH H 2 N Ki = 4.4 nM 478.55 N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3CN)c3ccccc3)cc(F)cc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL3628950 OBDepict CH 3 N N N Cl Cl N H O N N F F F CH 3 Ki = 4.5 nM 599.44 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(C(F)(F)F)c1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4106744 OBDepict H 3 C O O H 2 N N H N O H N H H 3 C O F F Cl Ki = 4.54 nM 595.05 COC(=O)c1cc2c(cc1N)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4109066 OBDepict O N H N F O H 3 C Cl H CH 3 O HN Ki = 4.77 nM 546.04 CC(=O)c1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3ccccc3-c3ccnc2c3)CC1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4110705 OBDepict CH 3 O N H O HN O H H 3 C N H N O NH Ki = 4.88 nM 531.66 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(C3CCNCC3)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4096341 OBDepict H 3 C N N N Cl HN O H H H N N O N Cl IC50 = 4.9 nM 484.35 Cc1ncn(-c2ccc(C(=O)N[C@H]3[C@H]4CC[C@H]3N(c3ncc(Cl)c5cnoc35)C4)c(Cl)c2)n1 Homo sapiens CHEMBL4018088 single protein format
CHEMBL602082 OBDepict H 3 C NH N H 3 C N N H CH 3 O O O S HN NH 2 Ki = 5.0 nM 492.61 CNCc1c(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)c(C)nn1C Homo sapiens CHEMBL1069634 single protein format
CHEMBL596764 OBDepict CH 3 O N H O O O S HN H 2 N Ki = 5.0 nM 461.54 COc1ccc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)cc1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL3628953 OBDepict CH 3 N N N Cl Cl N H O N N N N N H 3 C CH 3 CH 3 Ki = 5.0 nM 564.48 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cn(C(C)C)nn1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL606183 OBDepict O NH O F O S HN NH 2 Ki = 5.0 nM 449.51 N=C(N)c1cc2c(OC(COC(=O)Nc3ccccc3F)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL601018 OBDepict H 3 C NH N N H 3 C N H O O O S NH H 2 N Ki = 5.0 nM 478.58 CNCc1cc(NC(=O)OCC(Oc2cccc3sc(C(=N)N)cc23)c2ccccc2)n(C)n1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL425538 OBDepict Cl N N F N H O N N F F F HN H 2 N Ki = 5.1 nM 541.9 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccc(Cl)cc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL3628960 OBDepict N N CH 3 N H O Cl Cl N N N Ki = 5.1 nM 541.44 Cc1ccc2c(c1)c(C#N)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL183002 OBDepict NH 2 HN N N N H O N N N Ki = 5.5 nM 498.55 N=C(N)c1cccc(-n2nc(-c3cccnc3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL3627871 OBDepict F H N N N H H O CH 3 CH 3 Cl N N N Ki = 5.7 nM 488.95 Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnc4)cc3Cl)c3cccc(F)c3)[nH]c2cc1C Homo sapiens CHEMBL3630982 single protein format
CHEMBL4107139 OBDepict CH 3 O N H O NH O H CH 3 N H N O F H 3 C Ki = 5.85 nM 556.64 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(C)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628832 OBDepict H 3 C N N N H O Cl N N N CH 3 Ki = 5.9 nM 497.0 Cc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3627896 OBDepict F H N N N H H O CH 3 Cl Cl Cl N N N H 3 C Ki = 6.2 nM 557.84 Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3nc4c(C)cc(Cl)cc4[nH]3)c(Cl)c2)n1 Homo sapiens CHEMBL3630982 single protein format
CHEMBL3628957 OBDepict CH 3 N CH 3 HN O Cl Cl N N N Ki = 6.3 nM 530.46 Cc1ccc2c(c1)c(C)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 Homo sapiens CHEMBL3630476 single protein format
CHEMBL4113057 OBDepict HO O HN O H H 3 C H N O F F Cl Ki = 6.38 nM 565.02 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cccc(c2)-c2cc(C(=O)O)ccc2NC1=O Homo sapiens CHEMBL3888871 single protein format
CHEMBL184427 OBDepict F N H N O N N N F F F F F F NH H 2 N Ki = 6.4 nM 575.45 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(C(F)(F)F)ccc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL3628948 OBDepict F N H O N N Cl Cl N CH 3 N N CH 3 Ki = 6.6 nM 549.44 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(F)c1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL3921526 OBDepict CH 3 O NH O NH O N H N O F F Cl Ki = 6.61 nM 595.05 COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL4111765 OBDepict H 3 C O HN O HN O H H 3 C N H N N O F F Cl Ki = 6.77 nM 594.02 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ncc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL3628831 OBDepict H 3 C N N N Cl N H O N N CH 3 Ki = 6.9 nM 497.0 Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1ccc(-n2cnc(C)n2)cc1Cl)(c1ccccc1)C3 Homo sapiens CHEMBL3630476 single protein format
CHEMBL598996 OBDepict O HN O F O F S NH H 2 N Ki = 7.0 nM 467.5 N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3F)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL605564 OBDepict O NH O F F O S HN NH 2 Ki = 7.0 nM 467.5 N=C(N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL4113983 OBDepict H 3 C O HN O HN O H H 3 C N H N O F CH 3 Ki = 7.24 nM 556.64 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(C)ccc3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888871 single protein format
CHEMBL185301 OBDepict F N H N O N N N N F F F NH H 2 N Ki = 7.9 nM 508.44 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ncccc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL362362 OBDepict F N H N O N N N N F F F NH H 2 N Ki = 7.9 nM 508.44 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccncc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format
CHEMBL597579 OBDepict O NH O O F S HN NH 2 Ki = 8.0 nM 449.51 N=C(N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3)c3ccccc3)cccc2s1 Homo sapiens CHEMBL1069634 single protein format
CHEMBL426439 OBDepict F N H N O N N N N F F F NH H 2 N Ki = 8.0 nM 508.44 N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cnccc43)cc2F)c1 Homo sapiens CHEMBL826324 single protein format