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P08236 | BGLR_HUMAN | Beta-glucuronidase (GUSB)

3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // Glyco_hydro_2_N ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Glyco_hydro_2 ]

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[ Domain: "TIM barrels" // Glyco_hydro_2_C ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3980115 OBDepict N H N N N S N N N O IC50 = 1.17 nM 411.54 C1CCc2c(c(N3CCOCC3)nc3sc4c(N5CCNCC5)nnnc4c23)C1 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL4635113 OBDepict Cl O S S HN O O N HN IC50 = 20.0 nM 514.07 O=S(=O)(NCc1cccc2ccccc12)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4642327 OBDepict S N H HN NH F O N N H H IC50 = 100.0 nM 533.63 O=C(NNC(=S)Nc1ccccc1F)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL4616981 single protein format
CHEMBL4642420 OBDepict OH N HN O O N H 3 C H CH 3 CH 3 IC50 = 118.0 nM 379.46 Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3C)cc2c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4632976 OBDepict S N H N H N H O F F F N N H H IC50 = 120.0 nM 583.64 O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL4616981 single protein format
CHEMBL4641808 OBDepict HO N N H O O N CH 3 H F CH 3 H 3 C IC50 = 142.0 nM 397.45 Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccc(F)cc3C)cc2c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4643914 OBDepict S N H HN NH O Cl Cl N N H H IC50 = 200.0 nM 584.53 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL4616981 single protein format
CHEMBL2335167 OBDepict H 3 C S N N N CH 3 NH IC50 = 230.6 nM 302.45 Cc1nc(N2CCNCC2)c2c3c(sc2n1)CC(C)CC3 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL3903683 OBDepict HO N N H S O N H O CH 3 H 3 C CH 3 IC50 = 282.5 nM 425.55 CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL4640688 OBDepict OH N HN O O N Br H CH 3 CH 3 IC50 = 347.0 nM 444.33 Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3Br)cc2c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL1370584 OBDepict CH 3 N O CH 3 CH 3 N N H S HS IC50 = 350.0 nM 309.46 CCN(CC)C(=O)C1=C(C)N=C(S)NC1c1cccs1 Homo sapiens CHEMBL4628377 single protein format
CHEMBL1236932 OBDepict OH N N H S O N H O H 3 C H 3 C CH 3 IC50 = 369.3 nM 411.53 COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL4641364 OBDepict HO N N H S O N H O CH 3 H 3 C CH 3 IC50 = 370.0 nM 411.53 COc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4642057 OBDepict HO N NH O O N H CH 3 CH 3 CH 3 H 3 C IC50 = 468.0 nM 407.51 Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3C(C)C)cc2c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4644690 OBDepict OH HO N S N N H IC50 = 500.0 nM 309.35 Oc1cccc(-c2nnc(-c3ccc4[nH]ccc4c3)s2)c1O Homo sapiens CHEMBL4616962 single protein format
CHEMBL4641089 OBDepict Cl N H N H O N OH HO OH IC50 = 500.0 nM 345.74 O=C(N/N=C/c1cc(O)c(O)cc1O)c1cc2cc(Cl)ccc2[nH]1 Homo sapiens CHEMBL4616981 single protein format
CHEMBL4634834 OBDepict S N H HN NH Cl O N N H H IC50 = 500.0 nM 550.09 O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Homo sapiens CHEMBL4616981 single protein format
CHEMBL4634026 OBDepict H 3 C S N N N CH 3 NH IC50 = 540.0 nM 304.46 Cc1nc2c(c(N3CCNCC3)n1)C1CCC(C)CC1S2 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4475955 OBDepict N N N N N IC50 = 550.0 nM 339.4 c1cncc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL1236933 OBDepict OH N HN O O N F H CH 3 IC50 = 585.7 nM 369.4 Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3F)cc2c1 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL137922 OBDepict H 3 C O O H 3 C N N OH IC50 = 600.0 nM 282.3 COc1ccc(-c2nc(O)c3ccccc3n2)cc1OC Homo sapiens CHEMBL3295183 single protein format
CHEMBL4638527 OBDepict Cl O HO OH IC50 = 600.0 nM 274.7 O=C(/C=C/c1ccc(Cl)cc1)c1cc(O)ccc1O Homo sapiens CHEMBL4616962 single protein format
CHEMBL4649006 OBDepict CH 3 N O H 3 C CH 3 NH HN S + N O _ O IC50 = 600.0 nM 348.43 CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL4628377 single protein format
CHEMBL3289121 OBDepict CH 3 O N N H O IC50 = 700.0 nM 266.3 CCOc1ccccc1-c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3295183 single protein format
CHEMBL4207146 OBDepict CH 3 N O H 3 C CH 3 NH HN S OH IC50 = 720.0 nM 319.43 CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 Homo sapiens CHEMBL4628377 single protein format
CHEMBL3922222 OBDepict CH 3 O N H O O CH 3 N N O O IC50 = 740.1 nM 419.52 COC1CCC(OC)C(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 Homo sapiens CHEMBL3888431 cell-based format
CHEMBL4544953 OBDepict O N N Br N HO N IC50 = 750.0 nM 461.32 O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccc(O)c(Br)c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4632679 OBDepict OH N HN O O N H CH 3 CH 3 IC50 = 759.0 nM 405.5 Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3C3CC3)cc2c1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4649515 OBDepict H N N S N H N H O S CH 3 CH 3 O IC50 = 759.0 nM 308.39 CC1(C)Cc2c(sc3nc4[nH][nH]c(=S)n4c(=O)c23)CO1 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4647400 OBDepict CH 3 N O H 3 C CH 3 NH N H S HO O CH 3 IC50 = 760.0 nM 349.46 CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(OC)c(O)c1 Homo sapiens CHEMBL4628377 single protein format
CHEMBL4638475 OBDepict F N O N O O IC50 = 800.0 nM 384.37 O=c1cc(-c2ccc(-c3nnc(-c4ccccc4F)o3)cc2)oc2ccccc12 Homo sapiens CHEMBL4616962 single protein format
CHEMBL4589941 OBDepict CH 3 O Br O N N N N IC50 = 850.0 nM 475.35 COc1ccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)cc1Br Homo sapiens CHEMBL4616962 single protein format
CHEMBL4643721 OBDepict OH HO N O N N H IC50 = 900.0 nM 307.31 Oc1cccc(-c2nnc(Cc3cc4ccccc4[nH]3)o2)c1O Homo sapiens CHEMBL4616962 single protein format
CHEMBL4567565 OBDepict CH 3 O HO N O N N S N Cl Cl Cl IC50 = 960.0 nM 531.81 COc1cc(O)ccc1-c1nnc(-c2ccc(-c3nnc(-c4c(Cl)cc(Cl)cc4Cl)s3)cc2)o1 Homo sapiens CHEMBL4342363 single protein format