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Q9Y6F1 | PARP3_HUMAN | Protein mono-ADP-ribosyltransferase PARP3 (PARP3)

3D structures mapped by conservation among orthologs

[ Domain: "ADP-ribosylation" // 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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[ 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
CHEMBL3970252 OBDepict H N N N O N H O NH 2 H 3 C H 3 C IC50 = 18.0 nM 311.35 CC(C)(N)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887991 single protein format
CHEMBL3740104 OBDepict N N N N O N N H O IC50 = 46.0 nM 450.5 N#Cc1cccnc1N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 Homo sapiens CHEMBL3743827 single protein format
CHEMBL521686 OBDepict O N N O F N N H O IC50 = 46.0 nM 434.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL3743827 single protein format
CHEMBL595018 OBDepict O N NH N O IC50 = 50.0 nM 307.35 O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccnc1 Homo sapiens CHEMBL1074655 single protein format
CHEMBL3764816 OBDepict F H NH H N N N N H 3 C N F H O IC50 = 62.8 nM 380.36 Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3995362 assay format
CHEMBL3907010 OBDepict F N O N CH 3 N N N N H O F F F IC50 = 66.9 nM 486.43 CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21 Homo sapiens CHEMBL3887959 single protein format
CHEMBL609002 OBDepict O N N H N N O IC50 = 70.0 nM 322.37 O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1 Homo sapiens CHEMBL1074655 single protein format
CHEMBL3911687 OBDepict F N H O N H N H 3 C H 3 C IC50 = 136.0 nM 271.3 CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887991 single protein format
CHEMBL3922789 OBDepict O N N N N H H O IC50 = 180.0 nM 294.31 O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887991 single protein format
CHEMBL4112930 OBDepict F N H O N H N H 3 C N IC50 = 185.0 nM 298.32 C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34 Homo sapiens CHEMBL3887991 single protein format
CHEMBL3891329 OBDepict H N N O N H IC50 = 199.0 nM 225.25 O=C1NN=C2CCCc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887991 single protein format
CHEMBL1094636 OBDepict H 2 N O N N H N H IC50 = 296.0 nM 320.4 NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 Homo sapiens CHEMBL3995362 assay format
CHEMBL1173055 OBDepict H 3 C NH N H N H O F IC50 = 512.0 nM 323.37 CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 Homo sapiens CHEMBL3995362 assay format
CHEMBL3978989 OBDepict H N N N O N H O H 3 C H 3 C CH 3 IC50 = 660.0 nM 310.36 CC(C)(C)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887991 single protein format
CHEMBL3907535 OBDepict H 3 C N H 3 C N N N H H O IC50 = 760.0 nM 268.32 CC(C)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887991 single protein format
CHEMBL1086580 OBDepict OH N N S F F F IC50 = 839.0 nM 312.32 Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2 Homo sapiens CHEMBL3995362 assay format
CHEMBL3092537 OBDepict O NH H 3 C H N N H O IC50 = 900.0 nM 321.38 C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 Homo sapiens CHEMBL3096299 single protein format
CHEMBL3092553 OBDepict OH N H H O N N H O IC50 = 1000.0 nM 351.41 O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CO)Cc1ccccc1 Homo sapiens CHEMBL3096299 single protein format
CHEMBL3940569 OBDepict O NH N N CH 3 H 3 C O IC50 = 1000.0 nM 309.37 CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CC2CO2)C1 Homo sapiens CHEMBL3887991 single protein format