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P07477 | TRY1_HUMAN | Serine protease 1 (PRSS1)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_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
CHEMBL100989 OBDepict O O H S H H IC50 = 0.02 nM 234.32 O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Homo sapiens CHEMBL820677 single protein format
CHEMBL290376 OBDepict CH 3 NH O H N O H HN O B H HO OH N H 2 N NH 2 Ki = 0.045 nM 460.34 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O Homo sapiens CHEMBL811780 single protein format
CHEMBL607008 OBDepict CH 3 NH O H N O H HN O B H HO OH N H 2 N NH 2 ClH Ki = 0.045 nM 496.81 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O.Cl Homo sapiens CHEMBL812715 single protein format
CHEMBL3642936 OBDepict OH O NH H O HO O O O O NH NH 2 Ki = 0.054 nM 465.42 N=C(N)c1ccc(OC(=O)c2ccc(-c3cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c3)o2)cc1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3944540 OBDepict OH O N H H S O O HO O H N O O O NH NH 2 Ki = 0.08 nM 558.57 N=C(N)c1ccc2cc(OC(=O)c3ccc(CN4CCC[C@@H]4C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)o3)ccc2c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL418071 OBDepict NH 2 N H 2 N B HN H O O O H 3 C H CH 3 H 3 C CH 3 S O O H 2 N Ki = 0.11 nM 581.55 Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1C(=O)N[C@@H](CCCN=C(N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Homo sapiens CHEMBL811780 single protein format
CHEMBL99622 OBDepict O O H S H H IC50 = 0.12 nM 234.32 O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1 Homo sapiens CHEMBL820677 single protein format
CHEMBL3642924 OBDepict CH 3 O HN O O O H O OH O OH HN NH 2 Ki = 0.12 nM 459.46 CC(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642903 OBDepict HO O N H H O OH O CH 3 S O O F HN NH 2 Ki = 0.15 nM 479.49 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CCC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3951207 OBDepict H 2 N NH NH O O Cl N H O H O OH OH IC50 = 0.17 nM 510.93 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL4109828 OBDepict NH 2 NH HN O O N HN O H O OH O O OH IC50 = 0.18 nM 571.55 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)N[C@H](Cc4ccc(OCC(=O)O)cc4)C(=O)O)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3672886 OBDepict OH HN O HO O H 3 C CH 3 S O O F HN H 2 N Ki = 0.18 nM 499.52 CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cc(O)cc(C(=O)O)c1 Homo sapiens CHEMBL3887805 single protein format
CHEMBL3642902 OBDepict HO O N H H O OH O CH 3 S O O F HN NH 2 Ki = 0.18 nM 465.46 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642965 OBDepict CH 3 S HN O O O H O OH O OH F HN NH 2 Ki = 0.18 nM 493.51 CC(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3914629 OBDepict HO O HN H S O O OH O H N S O O F HN H 2 N Ki = 0.19 nM 542.57 N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3642941 OBDepict HO O N H H O OH O CH 3 H S O O F HN NH 2 Ki = 0.19 nM 465.46 C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642982 OBDepict HO O N H H O OH O CH 3 N S O O F HN NH 2 Ki = 0.2 nM 466.45 CC(Cc1ncc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642932 OBDepict HO O N H H O OH O CH 3 O O O HN NH 2 Ki = 0.2 nM 431.4 CC(Cc1coc(C(=O)Oc2ccc(C(=N)N)cc2)c1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3897484 OBDepict H 2 N NH NH O O Cl N H O H O OH Cl IC50 = 0.2 nM 529.38 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3921980 OBDepict OH O N H H O HO O H N S S O O F NH NH 2 Ki = 0.21 nM 524.55 N=C(N)c1ccc(OC(=O)c2ccc(CN3CSC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3672880 OBDepict O O S F CH 3 CH 3 N H O O HO O OH HN H 2 N Ki = 0.21 nM 527.53 CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1 Homo sapiens CHEMBL3705369 single protein format
CHEMBL3642957 OBDepict H 3 C NH O S H O OH S O O OH O O F NH H 2 N Ki = 0.21 nM 501.51 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3985298 OBDepict O HN H O HO F F O O HN NH NH 2 IC50 = 0.21 nM 496.47 N=C(N)Nc1ccc(C(=O)Oc2cc(F)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(F)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3917451 OBDepict OH O N O CH 3 Cl O OH O O HN HN NH 2 IC50 = 0.21 nM 552.97 CC(C(=O)N(CC(=O)O)Cc1cccc(C(=O)O)c1)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1Cl Homo sapiens CHEMBL3887621 single protein format
CHEMBL3957994 OBDepict HO O N O N S O HO O O HN NH NH 2 IC50 = 0.21 nM 547.55 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)N(CC(=O)O)Cc4csc(C(=O)O)c4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642895 OBDepict HO O CH 3 S O O + N O _ O HN NH 2 Ki = 0.22 nM 375.36 C/C(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2[N+](=O)[O-])s1)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642958 OBDepict O NH CH 3 P S O OH HO O O F HN H 2 N Ki = 0.22 nM 443.39 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCP(=O)(O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3980104 OBDepict OH O N N O CH 3 Cl O OH O O HN HN NH 2 IC50 = 0.23 nM 553.96 CN(C(=O)N(CC(=O)O)Cc1cccc(C(=O)O)c1)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1Cl Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642933 OBDepict HO O N H H O OH O O O O NH NH 2 Ki = 0.23 nM 465.42 N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)o2)cc1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3947460 OBDepict H 3 C O N H H O HO O Cl O O N H HN NH 2 IC50 = 0.23 nM 524.96 COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2Cl)C(=O)O)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3971081 OBDepict H 2 N NH NH O O Cl N H O H O OH F IC50 = 0.23 nM 512.93 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3893474 OBDepict OH O N O N O O OH O NH NH H 2 N IC50 = 0.24 nM 555.55 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)N(CC(=O)O)Cc4ccc(CC(=O)O)cc4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3972244 OBDepict NH 2 NH HN O O N N H O O OH IC50 = 0.24 nM 497.51 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)NC(CC(=O)O)c4ccccc4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL11181 OBDepict H 3 C H 3 C H 3 C O NH CH 3 N O HN O CH 3 N NH 2 Ki = 0.24 nM 425.53 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@](C)(CC(C)C)C2 Homo sapiens CHEMBL815657 single protein format
CHEMBL3915122 OBDepict HO O N H H O OH N O S O O F NH NH 2 Ki = 0.24 nM 478.46 N=C(N)c1ccc(OC(=O)c2cc3c(s2)CN(C(=O)N[C@@H](CC(=O)O)C(=O)O)CC3)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3951001 OBDepict HO O HN H S O O OH O H N O O O HN H 2 N Ki = 0.24 nM 508.51 N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)o2)cc1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3900248 OBDepict HO O HN H S O O OH O H N S O O F HN H 2 N Ki = 0.25 nM 542.57 N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@H]3C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3939171 OBDepict O HN H O HO Cl Cl O O HN NH NH 2 IC50 = 0.26 nM 529.38 N=C(N)Nc1ccc(C(=O)Oc2cc(Cl)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3947949 OBDepict H 2 N HN NH O O N N H O O OH IC50 = 0.26 nM 483.48 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)NC(C(=O)O)c4ccccc4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3969953 OBDepict O N H H O OH Cl O F O NH NH H 2 N IC50 = 0.26 nM 512.93 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3cccc(F)c3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3941889 OBDepict HO O N O N O HO O O HN NH NH 2 IC50 = 0.27 nM 541.52 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)N(CC(=O)O)Cc4cccc(C(=O)O)c4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642973 OBDepict HO O N H H O OH O S O O F NH NH 2 Ki = 0.27 nM 499.48 N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)s2)c(F)c1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL10346 OBDepict H 3 C H 3 C O NH CH 3 H 3 C CH 3 N O HN O CH 3 N NH 2 Ki = 0.27 nM 467.61 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)C(CC(C)C)(CC(C)C)C2 Homo sapiens CHEMBL815657 single protein format
CHEMBL3909962 OBDepict OH O N O Cl O O N H NH NH 2 IC50 = 0.29 nM 508.96 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3ccccc3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3977211 OBDepict HO O NH O N O O HN NH NH 2 IC50 = 0.29 nM 483.48 N=C(N)Nc1ccc(C(=O)Oc2ccc3nc(C(=O)Nc4ccc(CC(=O)O)cc4)ccc3c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL4106875 OBDepict NH 2 NH HN O O N N O H 3 C H O HO S O OH IC50 = 0.29 nM 561.58 C[C@H](C(=O)O)N(Cc1csc(C(=O)O)c1)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc2n1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3961130 OBDepict NH 2 N H NH O O Cl Cl NH O H O HO IC50 = 0.29 nM 529.38 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(Cl)c2Cl)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3933667 OBDepict O N H H O OH F F F O O NH NH H 2 N IC50 = 0.29 nM 528.49 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3890156 OBDepict OH O N H H O HO O H N S O O F NH NH 2 Ki = 0.29 nM 506.51 N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CC(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3925221 OBDepict O HN Cl O OH O O NH NH H 2 N IC50 = 0.3 nM 494.94 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)NCc3ccccc3C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642935 OBDepict O O O NH H 2 N NH O P O OH HO Ki = 0.3 nM 443.35 N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)NCP(=O)(O)O)cc3)o2)cc1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3977663 OBDepict H 2 N NH NH O O Cl N H O H O OH F F F IC50 = 0.31 nM 562.93 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccc(C(F)(F)F)cc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3940399 OBDepict O N H H O OH Cl F O O NH NH H 2 N IC50 = 0.31 nM 512.93 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccccc3F)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3922459 OBDepict OH O N O O OH Cl O O HN NH NH 2 IC50 = 0.32 nM 552.97 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)c3cccc(CC(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642946 OBDepict HO O N H H O OH O CH 3 S O O F HN NH 2 Ki = 0.33 nM 465.46 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)c(F)c2)s1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL4113549 OBDepict O NH H O HO Cl O O N H HN NH 2 IC50 = 0.34 nM 508.96 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N[C@H](CC(=O)O)c3ccccc3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3929693 OBDepict NH 2 NH HN O O Cl N O O OH O OH IC50 = 0.35 nM 552.97 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCN(CC(=O)O)C(=O)Cc3cccc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3953763 OBDepict O HN H O OH O O NH HN NH 2 IC50 = 0.36 nM 500.56 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C3CC3)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642964 OBDepict CH 3 S O OH O O F HN NH 2 Ki = 0.37 nM 378.43 CC(CCC(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3890692 OBDepict OH O N O Cl O HO O OH O O N H NH NH 2 IC50 = 0.37 nM 596.98 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3cc(C(=O)O)cc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3963997 OBDepict O HN O OH Cl O O N H NH NH 2 IC50 = 0.38 nM 537.02 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCCCC(=O)NC(Cc3ccccc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3982871 OBDepict HO O N H H O OH O N H CH 3 CH 3 CH 3 S O O F HN NH 2 Ki = 0.38 nM 536.58 CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3642886 OBDepict HO O N H H O OH O CH 3 O O O F HN NH 2 Ki = 0.38 nM 449.39 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)o1)C(=O)N[C@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3897433 OBDepict CH 2 N O H N O OH S S O O F NH H 2 N Ki = 0.38 nM 506.58 C=CCN(CC(=O)O)C(=O)[C@@H]1CSCN1Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3642940 OBDepict HO N O CH 3 O OH S N O O NH H 2 N Ki = 0.39 nM 446.49 C/C(=Cc1nc(C(=O)Oc2ccc(C(=N)N)cc2)cs1)C(=O)N(CCCO)CC(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642904 OBDepict HO O N H H O OH O CH 3 S O O F HN NH 2 Ki = 0.39 nM 465.46 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3967403 OBDepict OH O N Cl O OH O O N H HN NH 2 IC50 = 0.4 nM 524.96 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCN(CC(=O)O)Cc3cccc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642977 OBDepict O NH H O OH S O HO O O F NH NH 2 Ki = 0.4 nM 465.46 N=C(N)c1ccc(OC(=O)c2ccc(CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3912722 OBDepict HO O N H O O OH Cl O O NH NH H 2 N IC50 = 0.42 nM 567.0 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N(CCC(=O)O)[C@@H](Cc3ccccc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3955210 OBDepict H 2 N HN NH O O Cl N CH 3 O N O OH O HO IC50 = 0.42 nM 567.99 CN(C(=O)CN(CC(=O)O)Cc1cccc(C(=O)O)c1)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1Cl Homo sapiens CHEMBL3887621 single protein format
CHEMBL3667881 OBDepict HO O N H O CH 3 CH 3 S O O F HN NH 2 Ki = 0.42 nM 421.45 CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCC(=O)O Homo sapiens CHEMBL3705369 single protein format
CHEMBL4108738 OBDepict OH O N O H N O OH S O O F NH NH 2 Ki = 0.42 nM 520.54 N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N(CCC(=O)O)CC(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3962513 OBDepict OH O N O Cl O OH O O N H NH NH 2 IC50 = 0.43 nM 552.97 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3cccc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3962586 OBDepict O N H H O HO O O HN NH NH 2 IC50 = 0.43 nM 536.59 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3985101 OBDepict HO O N O S Cl O HO O O NH NH H 2 N IC50 = 0.43 nM 559.0 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3csc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3943096 OBDepict H 2 C N O N H O S H O OH O HO O O F HN NH 2 Ki = 0.43 nM 548.55 C=CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CCc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3642944 OBDepict H 3 C H HN O S H O OH O OH O O F HN NH 2 Ki = 0.43 nM 493.51 CCC[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3893507 OBDepict OH O N O Cl O O HN NH NH 2 IC50 = 0.44 nM 508.96 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N(CCc3ccccc3)CC(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642962 OBDepict O HN P O OH OH S O O F HN H 2 N Ki = 0.44 nM 429.37 N=C(N)c1ccc(OC(=O)c2ccc(CCC(=O)NCP(=O)(O)O)s2)c(F)c1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642931 OBDepict OH O N H H O HO O H 3 C O O O F NH H 2 N Ki = 0.44 nM 449.39 CC(Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)co1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3912993 OBDepict HO O NH H O OH O N H CH 3 CH 3 CH 3 S O O F HN NH 2 Ki = 0.44 nM 522.56 CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3642857 OBDepict HO O N H O CH 3 O O O HN NH 2 Ki = 0.44 nM 371.35 C/C(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)NCC(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3940716 OBDepict OH O N O O HO Cl O O N H NH NH 2 IC50 = 0.45 nM 552.97 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3ccccc3C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3960291 OBDepict HO O NH H O OH O N H CH 3 CH 3 CH 3 O O O HN NH 2 Ki = 0.45 nM 488.5 CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1 Homo sapiens CHEMBL3888548 single protein format
CHEMBL3949492 OBDepict OH O N O O OH Cl O O NH NH H 2 N IC50 = 0.46 nM 567.0 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCCC(=O)N(CC(=O)O)Cc3cccc(C(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL430526 OBDepict CH 3 N H O OH O HN H S O O N H 3 C NH NH 2 Ki = 0.46 nM 539.66 CC1=CCN(C(=O)[C@H](Cc2ccc(C(=N)N)cc2)NS(=O)(=O)c2ccc3c(c2)CN(C)CC3)[C@@H](C(=O)O)C1 Homo sapiens CHEMBL817134 single protein format
CHEMBL3642912 OBDepict HO O N H H O OH O CH 3 H O O O HN NH 2 Ki = 0.47 nM 431.4 C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N[C@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642966 OBDepict CH 3 S HN O O O H O OH O OH HN NH 2 Ki = 0.47 nM 475.52 CC(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)s1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642866 OBDepict H 3 C HO N H H O OH O CH 3 O O O HN NH 2 Ki = 0.48 nM 415.4 C/C(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N[C@H](C(=O)O)C(C)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642948 OBDepict O NH H O OH S O HO O O F NH NH 2 Ki = 0.48 nM 451.43 N=C(N)c1ccc(OC(=O)c2ccc(CCC(=O)N[C@@H](CC(=O)O)C(=O)O)s2)c(F)c1 Homo sapiens CHEMBL3705715 single protein format
CHEMBL3941734 OBDepict NH 2 NH HN O O Cl N O O HO O OH IC50 = 0.49 nM 567.0 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(CC(=O)O)Cc3cccc(CC(=O)O)c3)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642959 OBDepict O NH CH 3 P S O OH HO O O Cl HN H 2 N Ki = 0.49 nM 459.85 CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2Cl)s1)C(=O)NCP(=O)(O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3672872 OBDepict O O S F CH 3 CH 3 N H O O OH O HO HN H 2 N Ki = 0.49 nM 527.53 CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 Homo sapiens CHEMBL3705369 single protein format
CHEMBL3940894 OBDepict OH O N H O O HO Cl O O N H NH NH 2 IC50 = 0.5 nM 552.97 N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)N(CC(=O)O)[C@@H](Cc3ccccc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL101041 OBDepict CH 3 CH 3 O H O O H H IC50 = 0.5 nM 222.28 CC(C)=CC(=O)C[C@@H]1C(=O)O[C@H]2CCC[C@@H]21 Homo sapiens CHEMBL820677 single protein format
CHEMBL3639418 OBDepict O N H H O HO S O OH CH 3 O O F HN NH 2 Ki = 0.5 nM 465.46 Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)sc1CCC(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3667883 OBDepict CH 2 N O CH 3 CH 3 S O O F HN NH 2 O OH Ki = 0.5 nM 461.52 C=CCN(CC(=O)O)C(=O)C(C)(C)Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1 Homo sapiens CHEMBL3705369 single protein format
CHEMBL3964583 OBDepict NH 2 NH HN O O Cl N O O OH IC50 = 0.51 nM 494.94 N=C(N)Nc1ccc(C(=O)Oc2ccc(CCC(=O)N(Cc3ccccc3)C(=O)O)c(Cl)c2)cc1 Homo sapiens CHEMBL3887621 single protein format
CHEMBL3642968 OBDepict OH O N H H O HO O H 3 C S O O F NH H 2 N Ki = 0.51 nM 465.46 CC(Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)cs1)C(=O)N[C@@H](CC(=O)O)C(=O)O Homo sapiens CHEMBL3705715 single protein format
CHEMBL3642856 OBDepict HO N H H O OH O CH 3 O O O HN NH 2 Ki = 0.52 nM 401.38 C/C(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N[C@@H](CO)C(=O)O Homo sapiens CHEMBL3705715 single protein format