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P17752 | TPH1_HUMAN | Tryptophan 5-hydroxylase 1 (TPH1)

3D structures mapped by conservation among orthologs

[ Domain: "Aromatic aminoacid monoxygenases, catalytic and oligomerization domains" // Biopterin_H ]

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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
CHEMBL3800397 OBDepict NH 2 N N H O O N H 2 N H Cl O OH IC50 = 6.0 nM 550.06 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2cccc(Cl)c2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797264 OBDepict CH 3 O O N H N N NH 2 O NH 2 H O OH IC50 = 6.0 nM 545.64 COc1cccc(Oc2cccc(N3CCCCC3)c2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799301 OBDepict NH 2 N N H O O N H 2 N H O OH F F F IC50 = 6.0 nM 583.61 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccc(C(F)(F)F)cc2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799331 OBDepict OH O H 2 N H N O N H NH 2 N N S IC50 = 7.0 nM 506.63 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1cc(-c2nccs2)ccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL567046 OBDepict NH 2 N N N H N H 2 N H O HO IC50 = 7.0 nM 440.51 Nc1nc(NCc2ccccc2-c2ccccc2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3798045 OBDepict NH 2 N HN O O N H 2 N H H 3 C O OH IC50 = 8.0 nM 529.64 Cc1cccc(Oc2cccc(N3CCCCC3)c2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799287 OBDepict NH 2 N N H O O N H 2 N H F F F O OH IC50 = 10.0 nM 583.61 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccccc2C(F)(F)F)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799810 OBDepict CH 3 O O N H N N NH 2 O NH 2 H O OH IC50 = 10.0 nM 545.64 COc1ccccc1Oc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799498 OBDepict NH 2 N HN O N F F F H 2 N H O OH IC50 = 11.0 nM 491.51 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(N2CCCCC2)cccc1C(F)(F)F Homo sapiens CHEMBL3802442 single protein format
CHEMBL3798880 OBDepict NH 2 N N H O O N NH 2 H O OH Cl IC50 = 11.0 nM 550.06 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccc(Cl)cc2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797282 OBDepict HO O NH 2 H N O NH H 2 N N IC50 = 11.0 nM 435.53 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CC2CCC1C2 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3800151 OBDepict NH 2 N HN O O N CH 3 H 2 N H O OH IC50 = 11.0 nM 529.64 Cc1ccccc1Oc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799767 OBDepict NH 2 N HN O H 3 C N H 2 N H O OH IC50 = 12.0 nM 437.54 Cc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797766 OBDepict NH 2 N N H O O N NH 2 H O OH IC50 = 13.0 nM 529.64 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccccc2)cccc1N1CCCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL518324 OBDepict OH O H 2 N H N N N H IC50 = 13.0 nM 398.47 N[C@@H](Cc1ccc(-c2cnc(NCc3ccc4ccccc4c3)cn2)cc1)C(=O)O Homo sapiens CHEMBL1016550 single protein format
CHEMBL3799918 OBDepict NH 2 N N H O O N H 2 N H O OH F F F IC50 = 14.0 nM 583.61 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2cccc(C(F)(F)F)c2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL569291 OBDepict NH 2 N N N H N H 2 N H O HO CH 3 IC50 = 14.0 nM 454.53 Cc1ccc(-c2ccc(CNc3nc(N)nc(-c4ccc(C[C@H](N)C(=O)O)cc4)n3)cc2)cc1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3797417 OBDepict OH O H 2 N H N O HN NH 2 N IC50 = 14.0 nM 499.62 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1cc(-c2ccccc2)ccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797220 OBDepict OH O NH 2 H N O HN NH 2 N CH 3 IC50 = 15.0 nM 437.54 CC1CCCCN1c1ccccc1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799711 OBDepict H 2 N N NH O O N NH 2 H O OH CH 3 IC50 = 15.0 nM 529.64 Cc1ccc(Oc2cccc(N3CCCCC3)c2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799737 OBDepict NH 2 N N H O O N Cl H 2 N H O OH IC50 = 15.0 nM 550.06 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccccc2Cl)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL2103855 OBDepict NH 2 N N O H F F F N N Cl H 2 N H H 3 C O HO IC50 = 16.0 nM 546.94 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format
CHEMBL3798995 OBDepict OH O NH 2 H N O HN NH 2 N IC50 = 16.0 nM 437.54 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3798405 OBDepict CH 3 O O N H N N NH 2 O NH 2 H O HO IC50 = 16.0 nM 545.64 COc1ccc(Oc2cccc(N3CCCCC3)c2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797520 OBDepict OH O H 2 N H N O NH H 2 N N Cl IC50 = 16.0 nM 457.96 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1cc(Cl)ccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799404 OBDepict H 3 C O N H N N NH 2 O H 2 N H O OH IC50 = 18.0 nM 453.54 COc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4064649 OBDepict CH 3 O Cl O H F F F N N N NH 2 HN H O HO IC50 = 19.0 nM 592.02 COc1cccc(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)c1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3799259 OBDepict H 2 N N NH O CH 3 N NH 2 H O OH IC50 = 19.0 nM 451.57 Cc1cccc(N2CCCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL565307 OBDepict NH 2 N N N N H CH 3 H 2 N H O HO IC50 = 19.0 nM 436.56 CC(Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)C12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3800237 OBDepict CH 3 N NH N NH 2 O NH 2 H O HO IC50 = 20.0 nM 437.54 CC1CCCN(c2ccccc2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)C1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4104549 OBDepict NH 2 N N O N H F F F N H Cl H F F O OH IC50 = 22.0 nM 597.97 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cc(F)cc(F)c2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3800114 OBDepict OH O H 2 N H N O NH H 2 N N IC50 = 22.0 nM 423.52 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799132 OBDepict CH 3 O N N H N NH 2 O H 2 N H O OH IC50 = 22.0 nM 453.54 COc1ccc(N2CCCCC2)c(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL471564 OBDepict OH O H 2 N H N N O NH 2 F F F O IC50 = 24.0 nM 498.46 Nc1nc(OC(c2ccccc2-c2ccco2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL569517 OBDepict NH 2 N N N H N CH 3 H 2 N H O HO IC50 = 24.0 nM 454.53 CC(Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL460882 OBDepict NH 2 N N N H N NH 2 H O OH IC50 = 24.0 nM 414.47 Nc1nc(NCc2ccc3ccccc3c2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL3798902 OBDepict CH 3 N CH 3 NH N NH 2 O NH 2 H O HO IC50 = 25.0 nM 451.57 CC1CC(C)CN(c2ccccc2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)C1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3799920 OBDepict OH O H 2 N H N O NH H 2 N N CH 3 IC50 = 25.0 nM 437.54 Cc1ccc(N2CCCCC2)c(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4088856 OBDepict OH O H NH N N N O NH 2 H F F F N IC50 = 25.0 nM 578.6 Nc1nc(O[C@H](c2ccc(-c3ccc4cnccc4c3)cc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3764999 OBDepict NH 2 N N O N H F F F N N N H Cl H H 3 C O HO IC50 = 26.0 nM 565.98 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format
CHEMBL470084 OBDepict NH 2 N N N N H CH 3 H H 2 N H O HO IC50 = 26.0 nM 428.5 C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL3799306 OBDepict NH 2 N N H O O N H 2 N H O OH IC50 = 26.0 nM 515.61 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Oc2ccccc2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4094630 OBDepict NH 2 N N O N H F F F N H Cl H CH 3 O OH IC50 = 26.0 nM 576.02 Cc1cccc(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)c1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL4095779 OBDepict O N H O H F F F N N N NH 2 NH H O OH IC50 = 28.0 nM 596.61 Nc1nc(O[C@H](c2ccc(-c3ccc4c(c3)CCC(=O)N4)cc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3798665 OBDepict NH 2 N HN O O N CH 3 H 3 C H 2 N H O OH IC50 = 28.0 nM 481.6 CC(C)Oc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL479924 OBDepict OH O H 2 N H N N O NH 2 F F F N N F F F IC50 = 29.0 nM 566.46 Nc1nc(OC(c2ccccc2-n2ccc(C(F)(F)F)n2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL4065816 OBDepict OH O H N H N N N O NH 2 H F F F N N CH 3 IC50 = 30.0 nM 581.6 Cn1ncc2cc(-c3ccc([C@@H](Oc4cc(N5CCC6(CC5)CN[C@H](C(=O)O)C6)nc(N)n4)C(F)(F)F)cc3)ccc21 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3799607 OBDepict NH 2 N N H O O N H 2 N H O OH IC50 = 30.0 nM 521.66 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(OC2CCCCC2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4063143 OBDepict NH 2 N N O N H F F F N H Cl H Cl O OH IC50 = 30.0 nM 596.44 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(Cl)c2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL4090304 OBDepict N Cl O H F F F N N N H 2 N NH H O OH IC50 = 30.0 nM 587.0 N#Cc1cccc(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)c1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL469463 OBDepict H 3 C N N H N N H 2 N H O OH IC50 = 31.0 nM 465.56 CCn1c2ccccc2c2cc(CNc3cnc(-c4ccc(C[C@H](N)C(=O)O)cc4)cn3)ccc21 Homo sapiens CHEMBL1016550 single protein format
CHEMBL4093347 OBDepict OH O H N H N N N O NH 2 H F F F N H 3 C N CH 3 IC50 = 32.0 nM 595.63 Cc1nn(C)c2cc(-c3ccc([C@@H](Oc4cc(N5CCC6(CC5)CN[C@H](C(=O)O)C6)nc(N)n4)C(F)(F)F)cc3)ccc12 Homo sapiens CHEMBL4001798 single protein format
CHEMBL4092679 OBDepict HO O H HN N N N O H 2 N H F F F N N H IC50 = 32.0 nM 567.57 Nc1nc(O[C@H](c2ccc(-c3ccc4[nH]ncc4c3)cc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL469480 OBDepict NH 2 N N N H H 3 C H NH 2 H O OH IC50 = 32.0 nM 427.51 C[C@@H](Nc1cc(-c2ccc(C[C@H](N)C(=O)O)cc2)nc(N)n1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL3798411 OBDepict OH O NH 2 H N O N H H 2 N N IC50 = 32.0 nM 409.49 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4105500 OBDepict NH 2 N N O N H F F F N H Cl H F O OH IC50 = 32.0 nM 579.98 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccc(F)c2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3800634 OBDepict CH 3 O N N H N NH 2 O NH 2 H O HO IC50 = 33.0 nM 453.54 COC1CCN(c2ccccc2CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)CC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3798319 OBDepict NH 2 N N H O Cl N H 2 N H O OH IC50 = 33.0 nM 457.96 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(Cl)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4104957 OBDepict NH 2 N N O N H F F F N H Cl H O OH IC50 = 33.0 nM 561.99 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccccc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3799154 OBDepict NH 2 N N H O N H 2 N H O OH IC50 = 34.0 nM 499.62 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(-c2ccccc2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797373 OBDepict CH 3 O N N H N NH 2 O NH 2 H O HO IC50 = 35.0 nM 453.54 COc1cccc(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4072764 OBDepict OH O H NH N N N O NH 2 H F F F Cl F F IC50 = 35.0 nM 597.97 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccc(F)c(F)c2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL4065734 OBDepict OH O H N H N N N O NH 2 H F F F N N CH 3 CH 3 IC50 = 37.0 nM 595.63 Cc1c2ccc(-c3ccc([C@@H](Oc4cc(N5CCC6(CC5)CN[C@H](C(=O)O)C6)nc(N)n4)C(F)(F)F)cc3)cc2nn1C Homo sapiens CHEMBL4001798 single protein format
CHEMBL3800064 OBDepict OH O H 2 N H N O N H NH 2 N IC50 = 38.0 nM 513.64 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL577080 OBDepict OH O NH 2 H N N N H N H 2 N IC50 = 38.0 nM 440.51 Nc1nc(NCc2cccc(-c3ccccc3)c2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL4074348 OBDepict OH O H NH N N N O NH 2 H F F F N F IC50 = 40.0 nM 596.59 Nc1nc(O[C@H](c2ccc(-c3ccc4ncc(F)cc4c3)cc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL470083 OBDepict CH 3 N H N N H 2 N H O HO IC50 = 40.0 nM 438.53 Cc1ccccc1-c1ccccc1CNc1cnc(-c2ccc(C[C@H](N)C(=O)O)cc2)cn1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL4790492 OBDepict CH 3 O O N N OH H 2 N H O HO ClH IC50 = 42.0 nM 467.91 COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1ccc(O)cc1.Cl Homo sapiens CHEMBL4712948 single protein format
CHEMBL3797788 OBDepict CH 3 O N H N N NH 2 O NH 2 H O OH IC50 = 43.0 nM 467.57 CCOc1cccc(N2CCCCC2)c1CN/C(N)=N/C(=O)c1ccc(C[C@H](N)C(=O)O)cc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL513205 OBDepict OH O H 2 N H N N N H IC50 = 44.0 nM 424.5 N[C@@H](Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)cn2)cc1)C(=O)O Homo sapiens CHEMBL1016550 single protein format
CHEMBL567254 OBDepict NH 2 N N N N H CH 3 H H 2 N H O HO IC50 = 44.0 nM 428.5 C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL469462 OBDepict CH 3 O O N H N N H 2 N H O OH IC50 = 45.0 nM 462.55 COc1ccc(CNc2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)cn2)c(OC2CCCC2)c1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL3800552 OBDepict HO O NH 2 H N O NH H 2 N N IC50 = 45.0 nM 421.5 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CC2CC2C1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3798304 OBDepict OH O H 2 N H N O NH H 2 N N H 3 C IC50 = 46.0 nM 437.54 Cc1cccc(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL459856 OBDepict OH O H 2 N H N N N H IC50 = 46.0 nM 402.5 N[C@@H](Cc1ccc(-c2cnc(NCC3CCc4ccccc4C3)cn2)cc1)C(=O)O Homo sapiens CHEMBL1016550 single protein format
CHEMBL4798791 OBDepict CH 3 O OH O N N NH 2 H O OH ClH IC50 = 49.0 nM 467.91 COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1ccccc1O.Cl Homo sapiens CHEMBL4712948 single protein format
CHEMBL567038 OBDepict H 2 N N N N N H 3 C CH 3 H NH 2 H O OH IC50 = 50.0 nM 442.52 C[C@H](c1ccc2ccccc2c1)N(C)c1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3764206 OBDepict NH 2 N N O N H F F F N N N Cl H 2 N H H 3 C O HO IC50 = 50.0 nM 554.96 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCN(C[C@H](N)C(=O)O)CC3)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format
CHEMBL3799421 OBDepict H 2 N N NH O O N H 2 N H O HO IC50 = 53.0 nM 493.61 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1c(OC2CCC2)cccc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4099936 OBDepict OH O H NH N N N O NH 2 H F F F Cl Cl IC50 = 53.0 nM 596.44 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2ccc(Cl)cc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL512353 OBDepict OH O H 2 N H N N O NH 2 F F F S O IC50 = 54.0 nM 504.49 Nc1nc(OC(c2sccc2-c2ccco2)C(F)(F)F)cc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL3800563 OBDepict OH O H 2 N H N O N H NH 2 N IC50 = 54.0 nM 499.62 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3764034 OBDepict NH 2 N N O N H F F F N N N H Cl H 3 C O HO IC50 = 55.0 nM 565.98 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CNC(C(=O)O)C4)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format
CHEMBL567452 OBDepict NH 2 N N N N H CH 3 H 3 C H 2 N H O HO IC50 = 55.0 nM 442.52 CC(C)(Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3798838 OBDepict OH O H 2 N H N O NH H 2 N N S IC50 = 58.0 nM 441.56 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccccc1N1CCSCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4792465 OBDepict CH 3 O O N OH N H 2 N H O HO ClH IC50 = 60.0 nM 467.91 COc1ccc(-c2nc(-c3ccc(C[C@H](N)C(=O)O)cc3)no2)cc1-c1cccc(O)c1.Cl Homo sapiens CHEMBL4712948 single protein format
CHEMBL572143 OBDepict NH 2 N N N H N NH 2 H O OH IC50 = 60.0 nM 440.51 Nc1nc(NCc2ccc(-c3ccccc3)cc2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 Homo sapiens CHEMBL1042730 single protein format
CHEMBL3799910 OBDepict H 3 C O N HN N NH 2 O H 2 N H O OH IC50 = 61.0 nM 453.54 COc1ccc(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c(N2CCCCC2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797985 OBDepict HO O NH 2 H N O HN NH 2 IC50 = 61.0 nM 430.51 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCCc1ccccc1-c1ccccc1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL4796268 OBDepict NH 2 N N O H F F F N N Cl H 2 N H H 3 C O HO ClH IC50 = 64.0 nM 583.4 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1.Cl Homo sapiens CHEMBL4712948 single protein format
CHEMBL3763889 OBDepict CH 3 N N O N H F F F N N N H Cl H 3 C O HO IC50 = 65.0 nM 565.0 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CNC(C(=O)O)C4)nc(C)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format
CHEMBL4760939 OBDepict CH 3 O O N N O H 3 C H 2 N H O OH ClH IC50 = 65.0 nM 481.94 COc1ccc(-c2cc(-c3nc(-c4ccc(C[C@H](N)C(=O)O)cc4)no3)ccc2OC)cc1.Cl Homo sapiens CHEMBL4712948 single protein format
CHEMBL4091280 OBDepict NH 2 N N O N H F F F N H Cl N H O OH IC50 = 65.0 nM 562.98 Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccnc2)C(F)(F)F)cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3797505 OBDepict OH O H 2 N H N O NH H 2 N N Cl IC50 = 66.0 nM 457.96 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1cccc(Cl)c1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3797367 OBDepict OH O H 2 N H N O NH H 2 N N H 3 C IC50 = 69.0 nM 437.54 Cc1ccc(CN/C(N)=N/C(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c(N2CCCCC2)c1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL469464 OBDepict CH 3 O O CH 3 N H N N H 2 N H O OH IC50 = 69.0 nM 408.46 COc1ccc(CNc2cnc(-c3ccc(C[C@H](N)C(=O)O)cc3)cn2)cc1OC Homo sapiens CHEMBL1016550 single protein format
CHEMBL471380 OBDepict NH 2 N N O F F F H 2 N H CH 3 O HO IC50 = 70.0 nM 522.53 Cc1cccc(-c2ccccc2C(Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)c1 Homo sapiens CHEMBL1016550 single protein format
CHEMBL4076761 OBDepict NH 2 N N O N H F F F N N H Cl H CH 3 O OH IC50 = 73.0 nM 577.01 Cc1cccc(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL4001798 single protein format
CHEMBL3799871 OBDepict OH O H 2 N H N O NH H 2 N N Cl IC50 = 74.0 nM 457.96 N/C(=NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1)NCc1ccc(Cl)cc1N1CCCCC1 Homo sapiens CHEMBL3802442 single protein format
CHEMBL3765301 OBDepict H 2 N N N O N H F F F N N N Cl NH 2 H CH 3 O OH IC50 = 96.0 nM 581.0 Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC4CCC(C3)N4C[C@H](N)C(=O)O)nc(N)n2)C(F)(F)F)n1 Homo sapiens CHEMBL3769268 single protein format