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P09874 | PARP1_HUMAN | Poly [ADP-ribose] polymerase 1 (PARP1)

3D structures mapped by conservation among orthologs

[ Domain: "LEM/SAP HeH motif" // PLN03123 ]

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[ Domain: "LEM/SAP HeH motif" // PADR1,PLN03123 ]

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[ Domain: "ADP-ribosylation" // PARP ]

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[ Domain: "Rubredoxin-related" // PADR1 ]

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[ Domain: "PARP-type zinc finger" // zf-PARP ]

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[ Domain: "WGR domain" // WGR ]

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[ Domain: "Domain of poly(ADP-ribose) polymerase" // PARP_reg ]

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[ Domain: "BRCT domain" // PTCB-BRCT ]

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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
CHEMBL4169012 OBDepict N N N O F F N N H O IC50 = 0.02 nM 485.49 N#Cc1ccccc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL3889630 OBDepict CH 3 N O N O F N N H O Ki = 0.1 nM 412.47 CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL4161087 OBDepict H 3 C N N O F F N N H O IC50 < 0.1 nM 474.51 Cc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)cc1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL4170665 OBDepict O N F F N N N N H O IC50 = 0.1 nM 461.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccn2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL4845834 OBDepict F N O N N N H N N O H IC50 = 0.19 nM 482.52 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL4823042 single protein format
CHEMBL4159834 OBDepict O N F F N N N S N H O IC50 = 0.2 nM 467.5 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2nccs2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL3933136 OBDepict H 2 N O N H O CH 3 F Cl IC50 = 0.2 nM 346.79 Cc1cc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)ccc1Cl Homo sapiens CHEMBL3888857 cell-based format
CHEMBL4867855 OBDepict F N O N N H N N O H N O NH 2 IC50 = 0.23 nM 525.54 NC(=O)c1cncc2[nH]c(C3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc12 Homo sapiens CHEMBL4823042 single protein format
CHEMBL3958202 OBDepict O N N CH 3 O F N N H O Ki = 0.3 nM 398.44 CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1=O Homo sapiens CHEMBL3888158 single protein format
CHEMBL2322618 OBDepict F N O N N H N H O O IC50 = 0.31 nM 468.49 O=C1NCC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Homo sapiens CHEMBL2330729 single protein format
CHEMBL493045 OBDepict F N O N N H N H O Ki = 0.376 nM 366.4 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCNCC1 Homo sapiens CHEMBL4312052 single protein format
CHEMBL4870329 OBDepict Cl N N N O F N N H O IC50 = 0.4 nM 487.92 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(Cl)cc32)C1 Homo sapiens CHEMBL4823042 single protein format
CHEMBL4800042 OBDepict F NH 2 O N H N N O NH 2 IC50 = 0.4 nM 423.49 NC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL2058928 OBDepict F N O N N N NH H N N O Ki = 0.4 nM 449.49 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ncccn2)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL2058927 OBDepict F N O N N N NH H N O N Ki = 0.4 nM 449.49 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cnccn2)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL4171279 OBDepict O N F F N N N H O + N O _ O IC50 = 0.4 nM 505.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL4169337 OBDepict F N N O F F N N H O IC50 = 0.4 nM 478.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(F)cc2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL4870960 OBDepict H 3 C N N N O F N N H O IC50 = 0.47 nM 467.5 Cc1ccc2nc3n(c2c1)CCN(C(=O)c1cc(Cc2n[nH]c(=O)c4ccccc24)ccc1F)C3 Homo sapiens CHEMBL4823042 single protein format
CHEMBL4860422 OBDepict F N O N N N N H O IC50 = 0.49 nM 453.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccccc32)C1 Homo sapiens CHEMBL4823042 single protein format
CHEMBL4161414 OBDepict O N F F N N N H O IC50 = 0.5 nM 460.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL595679 OBDepict O N N N H O IC50 = 0.5 nM 389.5 O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCC(c2ccccc2)CC1 Homo sapiens CHEMBL1074647 single protein format
CHEMBL4546114 OBDepict O N N O O F N N H O IC50 = 0.5 nM 510.53 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2C(=O)N(Cc3ccccc3)C(=O)C2C1 Homo sapiens CHEMBL4355651 assay format
CHEMBL3985672 OBDepict O N H O H O N O F N N H O Ki = 0.5 nM 504.52 O=C(N[C@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O)OCc1ccccc1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3919265 OBDepict O N O N O F N N NH H O Ki = 0.5 nM 505.55 O=C(COc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL4867531 OBDepict F N N N O F N N H O IC50 = 0.51 nM 471.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(F)cc32)C1 Homo sapiens CHEMBL4823042 single protein format
CHEMBL3940935 OBDepict F N O N N N H O O N N H CH 3 Ki = 0.6 nM 528.59 Cc1nc2cc(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5CCCC6)ccc4F)CC3)ccc2[nH]1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3959275 OBDepict H N N N O N O F N N NH H O Ki = 0.6 nM 465.49 O=C(c1cc[nH]n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL4747106 OBDepict N N N H N H O NH 2 IC50 = 0.6 nM 411.51 N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cccc5c(=O)[nH]4)CC3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4167280 OBDepict HO N N O F F N N H O IC50 = 0.6 nM 476.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(O)cc2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL3137320 OBDepict F H NH H N N N N H 3 C N F H O IC50 = 0.6 nM 380.36 Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3428885 single protein format
CHEMBL4787850 OBDepict N N N N H O NH 2 IC50 = 0.6 nM 387.49 N#Cc1ccc(N2CCN(CCCc3cc4c(N)cccc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4748390 OBDepict N N N N H O NH 2 F IC50 = 0.6 nM 405.48 N#Cc1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL3975785 OBDepict O N O O N O F N N NH H O Ki = 0.6 nM 533.56 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2COc3ccccc3O2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3910874 OBDepict OH N N O N O F N N NH H O Ki = 0.6 nM 492.51 O=C(c1ccc(O)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3953479 OBDepict CH 3 N O N H F O N N H O Ki = 0.6 nM 440.52 CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F Homo sapiens CHEMBL3888158 single protein format
CHEMBL4868967 OBDepict F N O N N H N N O H IC50 = 0.63 nM 481.53 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL4823042 single protein format
CHEMBL3980638 OBDepict O N N O F N N NH H O Ki = 0.7 nM 467.55 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CCCC2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3975124 OBDepict CH 3 O S N O O N O F N N N H H O Ki = 0.7 nM 541.61 COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)cc1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3909439 OBDepict O N H N H F N N H O Ki = 0.7 nM 356.4 O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C1CNC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3926688 OBDepict H 3 C S N O O N O F N N N H H O Ki = 0.7 nM 463.54 CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3960376 OBDepict O NH N O F N N H O Ki = 0.7 nM 356.36 O=C1CNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F Homo sapiens CHEMBL3888158 single protein format
CHEMBL2058922 OBDepict F N O N N N N H S H O O CH 3 O Ki = 0.7 nM 449.51 CS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL2058682 OBDepict O N O F N N NH H O Ki = 0.7 nM 370.38 O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F Homo sapiens CHEMBL2061718 single protein format
CHEMBL3901842 OBDepict Cl N N O N O F N N NH H O Ki = 0.7 nM 510.96 O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3927171 OBDepict O N O F N N H O Ki = 0.7 nM 367.38 O=C1C2CC2C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F Homo sapiens CHEMBL3888158 single protein format
CHEMBL3934255 OBDepict F N O N N N HN H O O N N H Ki = 0.7 nM 515.55 O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3940575 OBDepict CH 3 O O N H O F N N H O Ki = 0.7 nM 463.51 COc1ccc(C(=O)CCC(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL1986530 OBDepict F N O N N N H N N O Ki = 0.7 nM 448.5 O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL591515 OBDepict N N N N O F N N H Cl O Cl IC50 = 0.7 nM 525.37 N#Cc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 Homo sapiens CHEMBL1069748 single protein format
CHEMBL3920948 OBDepict O N H F HN O N N H O Ki = 0.7 nM 462.53 O=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)Nc1ccccc1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL565882 OBDepict H 2 N O N N H O N Ki = 0.76 nM 304.31 NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnco4)cc3)nc12 Homo sapiens CHEMBL1042276 single protein format
CHEMBL521686 OBDepict O N N O F N N H O Ki = 0.787 nM 434.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL4312052 single protein format
CHEMBL4786854 OBDepict H 3 C NH O N N N H O NH 2 F IC50 = 0.8 nM 437.52 CNC(=O)c1ccc(N2CCN(CCCc3cc4c(N)cc(F)cc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4162463 OBDepict O N F F N N N H O IC50 = 0.8 nM 480.56 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C2CCCCCC2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL3913258 OBDepict H 3 C N O N O F N N HN H O Ki = 0.8 nM 427.48 CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL4175790 OBDepict O N F F N N N H O F F F IC50 = 0.8 nM 528.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL3982603 OBDepict O N N H O F N N H O Ki = 0.8 nM 412.47 O=C(NCCN1CCCC1=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F Homo sapiens CHEMBL3888158 single protein format
CHEMBL3934902 OBDepict F N O N N N H N O N Ki = 0.8 nM 448.5 O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cnccn2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3889976 OBDepict O N N N N N N H O Ki = 0.8 nM 430.51 O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ncccn2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3917181 OBDepict O N O F N N H O Ki = 0.8 nM 369.4 O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F Homo sapiens CHEMBL3888158 single protein format
CHEMBL3896362 OBDepict F N O N N N NH H O O N Ki = 0.8 nM 526.57 O=C(c1cnc2ccccc2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3965762 OBDepict F N O N N N NH H O O O Ki = 0.8 nM 465.49 O=C(c1ccco1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3954548 OBDepict O N N N O O F N N NH H O Ki = 0.8 nM 484.53 O=CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1N1CCOCC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL1173055 OBDepict H 3 C NH N H N H O F IC50 = 0.8044 nM 323.37 CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 Homo sapiens CHEMBL3619957 single protein format
CHEMBL4112930 OBDepict F N H O N H N H 3 C N IC50 = 0.9 nM 298.32 C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34 Homo sapiens CHEMBL3887989 single protein format
CHEMBL4781887 OBDepict F N N N H O NH 2 F IC50 = 0.9 nM 398.46 Nc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)cc12 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4175142 OBDepict O N F F N N N HO H O IC50 = 0.9 nM 476.48 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccc2O)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL4753410 OBDepict N F N N H N H O NH 2 F IC50 = 0.9 nM 447.49 N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)c(F)c1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4789581 OBDepict N N N H N H N O F IC50 = 0.9 nM 415.47 N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncc(F)cc5c(=O)[nH]4)CC3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL4160023 OBDepict O N F F N N N H N O IC50 = 0.9 nM 461.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccncc2)CC1 Homo sapiens CHEMBL4131013 single protein format
CHEMBL2058919 OBDepict O N F F F N O F N N N H H O Ki = 0.9 nM 467.42 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C(F)(F)F)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL2058925 OBDepict F N O N N N NH H O N Ki = 0.9 nM 448.5 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccnc2)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL2058916 OBDepict O NH N O F N N N H H O Ki = 0.9 nM 385.4 O=C1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CCN1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL3961474 OBDepict O N N N O F N N H O Ki = 0.9 nM 467.55 O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)N2CCCC2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL2058926 OBDepict F N O N N N NH H N O Ki = 0.9 nM 448.5 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccn2)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL2058920 OBDepict F N O N N N NH H O O Ki = 0.9 nM 475.52 O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 Homo sapiens CHEMBL2061718 single protein format
CHEMBL3913202 OBDepict F N O N N N NH H N N O N Ki = 0.9 nM 450.48 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ncncn2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3936878 OBDepict CH 3 N N N N O F N N HN H O Ki = 0.9 nM 463.52 Cc1cncc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4NCCC5)ccc3F)CC2)n1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3946265 OBDepict F N O N N N H O N Ki = 0.9 nM 447.51 O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cccnc2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3974706 OBDepict O N N N O F N N NH H O Ki = 0.9 nM 468.53 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)N2CCCC2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3892324 OBDepict O N N CH 3 CH 3 N O F N N H O Ki = 0.9 nM 441.51 CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3950574 OBDepict F N O N N N N H S H O O O Ki = 0.9 nM 511.58 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL571285 OBDepict NH 2 O N N H N Ki = 0.95 nM 314.35 NC(=O)c1cccc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12 Homo sapiens CHEMBL1042276 single protein format
CHEMBL598543 OBDepict O N F N N O N CH 3 CH 3 CH 3 H Cl O Cl IC50 = 1.0 nM 507.39 CC(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 Homo sapiens CHEMBL1069748 single protein format
CHEMBL190434 OBDepict OH N S N H O O N O IC50 = 1.0 nM 439.54 O=S(=O)(NCCCN1CCOCC1)c1ccc2c(c1)Cc1c-2nc(O)c2ccccc12 Homo sapiens CHEMBL828154 single protein format
CHEMBL3901209 OBDepict H 2 N O N H O Cl F Cl IC50 = 1.0 nM 367.21 NCCOc1c(-c2ccc(Cl)c(Cl)c2)[nH]c(=O)c2cc(F)ccc12 Homo sapiens CHEMBL3888857 cell-based format
CHEMBL4755076 OBDepict N N N H N H O NH 2 F IC50 = 1.0 nM 429.5 N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5c(N)cc(F)cc5c(=O)[nH]4)CC3)CC2)cc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL3740104 OBDepict N N N N O N N H O IC50 = 1.0 nM 450.5 N#Cc1cccnc1N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 Homo sapiens CHEMBL3743825 cell-based format
CHEMBL4746309 OBDepict N N N N H N H N O IC50 = 1.0 nM 398.47 N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1 Homo sapiens CHEMBL4676662 cell-based format
CHEMBL603135 OBDepict F N O N N N H Cl N N O Cl IC50 = 1.0 nM 551.41 O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncc3ccccc3n2)CC1 Homo sapiens CHEMBL1069748 single protein format
CHEMBL589834 OBDepict O N F N N N H Cl O Cl IC50 = 1.0 nM 477.37 O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCC2)CC1 Homo sapiens CHEMBL1069748 single protein format
CHEMBL593364 OBDepict O N N H N H O IC50 = 1.0 nM 271.32 O=C1NCC2c3c(cccc31)CCN2C(=O)C1CNC1 Homo sapiens CHEMBL1074647 single protein format
CHEMBL593363 OBDepict O N N H NH O IC50 = 1.0 nM 285.35 O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCNC1 Homo sapiens CHEMBL1074647 single protein format
CHEMBL596354 OBDepict O N N NH N O IC50 = 1.0 nM 360.42 O=C1NCC2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21 Homo sapiens CHEMBL1074647 single protein format
CHEMBL595018 OBDepict O N NH N O IC50 = 1.0 nM 307.35 O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccnc1 Homo sapiens CHEMBL1074647 single protein format
CHEMBL604291 OBDepict Cl N O N H F N O N H IC50 = 1.0 nM 402.86 O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)cn23)ccc1F)N1CCCNCC1 Homo sapiens CHEMBL1069748 single protein format
CHEMBL3971924 OBDepict Cl N N O N O F N N H O Ki = 1.0 nM 509.97 O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format
CHEMBL3986557 OBDepict O N H 3 C H 3 C O F N N H O Ki = 1.0 nM 381.41 CC1=C(C)C(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O Homo sapiens CHEMBL3888158 single protein format
CHEMBL1090467 OBDepict F N N H NH H O NH 2 Ki = 1.0 nM 324.36 NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12 Homo sapiens CHEMBL1106194 single protein format
CHEMBL3902883 OBDepict F N O N N N NH H O F Ki = 1.0 nM 465.5 O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL3888158 single protein format