HOME LIGAND hPROTEOME OTHERS DOCUMENT

P55201 | BRPF1_HUMAN | Peregrin (BRPF1)

3D structures mapped by conservation among orthologs

[ Domain: "FYVE/PHD zinc finger" // PHD_2 ]

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[ Domain: "FYVE/PHD zinc finger" // zf-HC5HC2H ]

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[ Domain: "SH3" // PWWP ]

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[ Domain: "Bromodomain" // Bromodomain ]

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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
CHEMBL4102050 OBDepict N S HN O O N CH 3 CH 3 O IC50 = 7.9 nM 353.4 Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O Homo sapiens CHEMBL4030905 assay format
CHEMBL4069814 OBDepict H 3 C O S NH O O N H 3 C CH 3 O IC50 = 9.0 nM 358.42 COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4103077 OBDepict CH 3 O HN N S CH 3 O O O H 3 C N O CH 3 IC50 = 12.0 nM 413.46 COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1OC)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4105505 OBDepict H 3 C O S NH O O F N H 3 C CH 3 O N IC50 = 12.0 nM 401.42 COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4097011 OBDepict N S HN O O N CH 3 CH 3 O IC50 = 15.0 nM 367.43 CCn1c(=O)c(C)cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 Homo sapiens CHEMBL4053000 assay format
CHEMBL4059962 OBDepict CH 3 O HN N S CH 3 O O N O CH 3 IC50 = 15.0 nM 383.43 COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4087315 OBDepict CH 3 O HN N S CH 3 O O O CH 3 IC50 = 17.0 nM 358.42 COc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4061727 OBDepict N S HN O O N H 3 C CH 3 O IC50 = 24.0 nM 353.4 Cc1cc(=O)n(C)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc12 Homo sapiens CHEMBL4030905 assay format
CHEMBL4084805 OBDepict CH 3 O HN N S CH 3 O O O IC50 = 29.0 nM 344.39 COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL4079434 OBDepict N S HN O O O N CH 3 H 3 C CH 3 O IC50 = 39.0 nM 397.46 CC(C)Oc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL3356143 OBDepict CH 3 O N H O N N N CH 3 H 3 C O IC50 = 40.0 nM 380.45 COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C Homo sapiens CHEMBL4051531 single protein format
CHEMBL4076056 OBDepict N S HN O O N CH 3 O IC50 = 43.0 nM 339.38 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL4099455 OBDepict Cl Cl S HN O O N CH 3 O IC50 = 44.0 nM 383.26 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21 Homo sapiens CHEMBL4053000 assay format
CHEMBL4068981 OBDepict H 3 C O S N O O CH 3 N CH 3 H 3 C O N IC50 = 52.0 nM 397.46 COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4102751 OBDepict CH 3 O HN N S CH 3 O O N O IC50 = 53.0 nM 369.4 COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL4103693 OBDepict H 3 C O HN N S CH 3 O O N O IC50 = 55.0 nM 383.43 CCOc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL4103432 OBDepict N S HN O O N CH 3 O IC50 = 56.0 nM 339.38 Cn1c(=O)ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL4096095 OBDepict CH 3 O HN N S CH 3 O O N CH 3 O IC50 = 60.0 nM 383.43 COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)c(C)cc(=O)n2C Homo sapiens CHEMBL4053000 assay format
CHEMBL4081438 OBDepict N Cl S HN O O N CH 3 O IC50 = 62.0 nM 373.82 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 Homo sapiens CHEMBL4053000 assay format
CHEMBL4067436 OBDepict CH 3 N O HN S O O IC50 = 65.0 nM 314.37 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL3752151 OBDepict H 3 C O S NH O O N H 3 C CH 3 O N IC50 = 70.0 nM 383.43 COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030927 single protein format
CHEMBL4073708 OBDepict CH 3 O S HN O O N CH 3 O CH 3 N IC50 = 93.0 nM 397.46 CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3OC)ccc2n(C)c1=O Homo sapiens CHEMBL4030905 assay format
CHEMBL4064071 OBDepict N HN S O O N H 3 C O IC50 = 100.0 nM 339.38 Cn1c(=O)ccc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL4064386 OBDepict CH 3 N S O O O CH 3 N N CH 3 CH 3 O IC50 = 110.0 nM 411.48 CCN(c1ccc2c(c1)cc(C)c(=O)n2C)S(=O)(=O)c1ccc(C#N)cc1OC Homo sapiens CHEMBL4030905 assay format
CHEMBL3133807 OBDepict CH 3 O NH O N N N N H 3 C HN H 3 C S O O H 3 C IC50 = 140.7 nM 404.45 CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12 Homo sapiens CHEMBL4650011 single protein format
CHEMBL4085921 OBDepict H 3 C O S N O O CH 3 CH 3 N CH 3 H 3 C O N IC50 = 160.0 nM 425.51 COc1cc(C#N)ccc1S(=O)(=O)N(c1ccc2c(c1)cc(C)c(=O)n2C)C(C)C Homo sapiens CHEMBL4030905 assay format
CHEMBL4065116 OBDepict H 3 C O S NH O O N H 3 C O CH 3 H 3 C N IC50 = 170.0 nM 411.48 COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C(C)C)c(=O)n2C Homo sapiens CHEMBL4030905 assay format
CHEMBL4080511 OBDepict CH 3 O N CH 3 HN S O O N IC50 = 180.0 nM 367.43 CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O Homo sapiens CHEMBL4030905 assay format
CHEMBL4068180 OBDepict O N O CH 3 N CH 3 N + N O H 3 C O _ O IC50 = 185.0 nM 416.39 Cc1cc2c(cc1N1C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051531 single protein format
CHEMBL4079041 OBDepict H 2 N N CH 3 CH 3 O IC50 = 190.0 nM 188.23 Cc1cc2cc(N)ccc2n(C)c1=O Homo sapiens CHEMBL4053000 assay format
CHEMBL4078047 OBDepict H 3 C O N H O N N CH 3 CH 3 O IC50 = 220.0 nM 391.47 COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Homo sapiens CHEMBL4053000 assay format
CHEMBL4067917 OBDepict N O S CH 3 HN O O N CH 3 O CH 3 IC50 = 250.0 nM 411.48 CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3OC)ccc2n(CC)c1=O Homo sapiens CHEMBL4030905 assay format
CHEMBL3770004 OBDepict Cl S HN O O O N N H 3 C CH 3 O IC50 = 270.0 nM 443.91 Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3770173 OBDepict H 3 C O HN N S N CH 3 O O CH 3 Br CH 3 O IC50 = 270.0 nM 440.32 COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C Homo sapiens CHEMBL3771489 single protein format
CHEMBL3770971 OBDepict O N N CH 3 H 3 C HN S O O O IC50 = 270.0 nM 373.43 Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCO4)ccc21 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3769887 OBDepict H 3 C O O S H 3 C HN O O O N N CH 3 CH 3 O IC50 = 290.0 nM 469.52 COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1OC Homo sapiens CHEMBL3771489 single protein format
CHEMBL3771151 OBDepict H 3 C N O N CH 3 HN S O O IC50 = 290.0 nM 357.44 Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)ccc21 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3771106 OBDepict H 3 C N O N CH 3 HN S O O O H 3 C H 3 C IC50 = 310.0 nM 401.49 Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)ccc21 Homo sapiens CHEMBL3771489 single protein format
CHEMBL1346130 OBDepict O N N CH 3 H 3 C HN S O O IC50 = 330.0 nM 371.46 Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3769965 OBDepict H 3 C O O N H N S N H 3 C O O O O CH 3 CH 3 CH 3 O IC50 = 340.0 nM 499.55 COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3771002 OBDepict H 3 C O S HN O O O N N CH 3 CH 3 O IC50 = 340.0 nM 439.49 COc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL4094867 OBDepict CH 3 N O HN S O O IC50 = 380.0 nM 320.41 Cn1c(=O)ccc2cc(NS(=O)(=O)C3CCCCC3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL3770886 OBDepict H 3 C H 3 C S HN O O N N H 3 C CH 3 O IC50 = 420.0 nM 359.45 CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3770465 OBDepict CH 3 N O N CH 3 O HN S O O CH 3 IC50 = 430.0 nM 423.49 Cc1ccccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C Homo sapiens CHEMBL3771489 single protein format
CHEMBL4070377 OBDepict N S HN O O N CH 3 O IC50 = 430.0 nM 339.38 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3C#N)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL3770391 OBDepict H 3 C O S HN O O O N N CH 3 CH 3 O IC50 = 430.0 nM 439.49 COc1cccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3771226 OBDepict H 3 C S HN O O O N N CH 3 CH 3 O IC50 = 510.0 nM 423.49 Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL4078346 OBDepict CH 3 N O NH S O O IC50 = 520.0 nM 278.33 Cn1c(=O)ccc2cc(NS(=O)(=O)C3CC3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL4075478 OBDepict H 3 C N N N CH 3 O O CH 3 O Cl IC50 = 547.0 nM 405.84 Cc1cc2c(cc1N1C(=O)c3cccc4c(Cl)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051531 single protein format
CHEMBL4446421 OBDepict CH 3 O S N H O O N N N H 3 C O N CH 3 IC50 = 567.5 nM 449.49 COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-n4cnc(C)c4)nc13)C(=O)N2C Homo sapiens CHEMBL4357134 single protein format
CHEMBL4064184 OBDepict H 3 C N N N N N CH 3 O O CH 3 O IC50 = 578.0 nM 455.52 CN1CCN(c2cc3c(cc2N2C(=O)c4cccc5cccc(c45)C2=O)n(C)c(=O)n3C)CC1 Homo sapiens CHEMBL4051531 single protein format
CHEMBL3770652 OBDepict H 3 C F S HN O O N N H 3 C CH 3 O IC50 = 590.0 nM 349.39 Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F Homo sapiens CHEMBL3771489 single protein format
CHEMBL4086958 OBDepict H 3 C N N N CH 3 O O CH 3 O Br IC50 = 591.0 nM 450.29 Cc1cc2c(cc1N1C(=O)c3cccc4c(Br)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051531 single protein format
CHEMBL4064292 OBDepict H 3 C N H 3 C N N N H 3 C O O CH 3 O IC50 = 630.0 nM 400.44 CN(C)c1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051531 single protein format
CHEMBL3818270 OBDepict CH 3 O N H O N N N N H 3 C N H S H 3 C O O CH 3 IC50 = 650.0 nM 404.45 CCOC(=O)Nc1cc(-c2ccc(C)cc2NS(C)(=O)=O)nn2c(C)nnc12 Homo sapiens CHEMBL3820394 assay format
CHEMBL3770259 OBDepict CH 3 O O HN N S CH 3 N O O O H 3 C IC50 = 660.0 nM 439.49 COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3770456 OBDepict H 3 C O O HN N S CH 3 N O O O H 3 C O CH 3 IC50 = 660.0 nM 469.52 COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)cc2)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL3771005 OBDepict CH 3 O O HN N S N CH 3 O O CH 3 H 3 C O IC50 = 680.0 nM 453.52 COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccccc2C)n(C)c(=O)n3C)cc1 Homo sapiens CHEMBL3771489 single protein format
CHEMBL4289527 OBDepict CH 3 N H 3 C N H N N H 3 C O CH 3 O O O CH 3 IC50 = 770.0 nM 410.47 CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1OC)n(C)c(=O)c(=O)n2C Homo sapiens CHEMBL4272097 single protein format
CHEMBL3770048 OBDepict F S CH 3 HN O O O N N CH 3 CH 3 O IC50 = 790.0 nM 441.48 Cc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C Homo sapiens CHEMBL3771489 single protein format
CHEMBL4075962 OBDepict Br N N N CH 3 O O CH 3 O IC50 = 855.0 nM 436.27 Cn1c(=O)n(C)c2cc(N3C(=O)c4cccc5cccc(c45)C3=O)c(Br)cc21 Homo sapiens CHEMBL4051531 single protein format
CHEMBL4086558 OBDepict N S HN O O N CH 3 O CH 3 H 3 C IC50 = 870.0 nM 381.46 CC(C)c1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O Homo sapiens CHEMBL4030905 assay format
CHEMBL4095325 OBDepict N S N O O H 3 C N CH 3 O IC50 = 910.0 nM 353.4 CN(c1ccc2c(ccc(=O)n2C)c1)S(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL1522313 OBDepict CH 3 O N H O N N N CH 3 H 3 C O IC50 = 980.0 nM 394.48 COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C Homo sapiens CHEMBL3385102 cell-based format
CHEMBL4090059 OBDepict H 3 C O N N S H 3 C CH 3 O O N O IC50 = 1000.0 nM 383.43 COc1cc2c(ccc(=O)n2C)cc1N(C)S(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030905 assay format
CHEMBL4072276 OBDepict CH 3 N O S NH O O IC50 = 1000.0 nM 314.37 Cn1c(=O)ccc2cc(S(=O)(=O)Nc3ccccc3)ccc21 Homo sapiens CHEMBL4030905 assay format
CHEMBL3742042 OBDepict H 3 C N N N N O CH 3 N IC50 <= 1000.0 nM 373.46 CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12 Homo sapiens CHEMBL3743240 single protein format