HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q00796 | DHSO_HUMAN | Sorbitol dehydrogenase (SORD)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // ADH_zinc_N ]

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[ Domain: "Alcohol dehydrogenase-like, N-terminal domain" // ADH_N ]

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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
CHEMBL136420 OBDepict CH 3 N N H 3 C N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 4.0 nM 408.51 Cc1cn(-c2nccc(N3C[C@H](C)N(c4ccnc([C@@H](C)O)n4)[C@H](C)C3)n2)c(C)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL136900 OBDepict H 3 C N N N N N H H 3 C N H CH 3 N N OH CH 3 H IC50 = 4.0 nM 412.54 C[C@H]1CN(c2ccnc(N3CCN(C)CC3)n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL34667 OBDepict CH 3 O N N N H CH 3 H CH 3 N N N OH H 3 C H IC50 = 6.0 nM 356.43 CC(=O)c1nccc(N2[C@@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1 Homo sapiens CHEMBL801255 single protein format
CHEMBL136103 OBDepict H CH 3 N N N H CH 3 N N N N OH CH 3 H IC50 = 7.0 nM 391.48 C[C@H]1CN(c2ncnc(-c3ccccc3)n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL342697 OBDepict CH 3 N N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 7.0 nM 329.41 Cc1ncnc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL151486 OBDepict CH 3 N N N N N N OH CH 3 H IC50 = 8.0 nM 350.43 Cc1nc2ccccc2nc1N1CCN(c2ccnc([C@@H](C)O)n2)CC1 Homo sapiens CHEMBL801253 single protein format
CHEMBL287890 OBDepict H OH CH 3 N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 10.0 nM 358.45 C[C@H](O)c1nccc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL844303 single protein format
CHEMBL36514 OBDepict H OH CH 3 N N N H CH 3 N H CH 3 N N HO CH 3 H IC50 = 10.0 nM 358.45 C[C@H]1CN(c2ccnc([C@@H](C)O)n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL801255 single protein format
CHEMBL151017 OBDepict HO N N N H CH 3 N H H 3 C N N OH H 3 C H IC50 = 10.0 nM 358.45 C[C@H]1CN(c2ccnc(CCO)n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL347716 OBDepict OH N N N N H CH 3 N N OH H 3 C H IC50 = 12.0 nM 344.42 C[C@@H](O)c1nccc(N2CCN(c3ccnc(CCO)n3)C[C@H]2C)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL147064 OBDepict H OH H 3 C N N N N N S IC50 = 12.0 nM 341.44 C[C@@H](O)c1nccc(N2CCN(c3nsc4ccccc34)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL435428 OBDepict CH 3 N N N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 13.0 nM 394.48 Cc1cn(-c2nccc(N3C[C@H](C)N(c4ccnc([C@@H](C)O)n4)[C@H](C)C3)n2)cn1 Homo sapiens CHEMBL844302 single protein format
CHEMBL136680 OBDepict CH 3 N N N N CH 3 H H 3 C N H H 3 C N N OH H 3 C H IC50 = 16.0 nM 343.44 Cc1nc(C)nc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL286539 OBDepict CH 3 O N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 19.0 nM 356.43 CC(=O)c1nccc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801255 single protein format
CHEMBL34965 OBDepict H HO CH 3 N N N H H 3 C N H CH 3 N N OH H 3 C H IC50 = 19.0 nM 358.45 C[C@H](O)c1nccc(N2[C@@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1 Homo sapiens CHEMBL801254 single protein format
CHEMBL151615 OBDepict OH N CH 3 N N N N N OH H 3 C H IC50 = 20.0 nM 330.39 Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151439 OBDepict CH 3 N CH 3 N N N N N OH H 3 C H IC50 = 23.0 nM 314.39 Cc1cc(C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL149048 OBDepict H OH CH 3 N N N N H CH 3 O N N IC50 = 23.0 nM 340.39 C[C@H]1CN(c2ccnc([C@@H](C)O)n2)CCN1c1nc2ccncc2o1 Homo sapiens CHEMBL801253 single protein format
CHEMBL348496 OBDepict H OH H 3 C N N N N N O N IC50 = 24.0 nM 326.36 C[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL90344 OBDepict H 3 C N S CH 3 N O O N N N HO CH 3 H IC50 = 27.0 nM 315.4 C[C@@H](O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 Homo sapiens CHEMBL800733 single protein format
CHEMBL36368 OBDepict CH 3 OH N N N H H 3 C N H H 3 C N N OH H 3 C IC50 = 28.0 nM 358.45 CC(O)c1nccc(N2C[C@H](C)N(c3ccnc(C(C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801254 single protein format
CHEMBL359089 OBDepict CH 3 N CH 3 N N N N N OH H 3 C H IC50 = 31.0 nM 314.39 Cc1cc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)nc(C)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151311 OBDepict H OH H 3 C N N N N N O N IC50 = 32.0 nM 326.36 C[C@@H](O)c1nccc(N2CCN(c3nc4cccnc4o3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL346418 OBDepict H HO H 3 C N N N N N IC50 = 34.0 nM 335.41 C[C@@H](O)c1nccc(N2CCN(c3nccc4ccccc34)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL150642 OBDepict H OH H 3 C N N N N N O IC50 = 35.0 nM 325.37 C[C@@H](O)c1nccc(N2CCN(c3nc4ccccc4o3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL359168 OBDepict H HO H 3 C N N N N N N IC50 = 36.0 nM 336.4 C[C@@H](O)c1nccc(N2CCN(c3cnc4ccccc4n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151764 OBDepict H OH H 3 C N N N N N O IC50 = 37.0 nM 325.37 C[C@@H](O)c1nccc(N2CCN(c3noc4ccccc34)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL149981 OBDepict OH N N N N N N OH H 3 C H IC50 = 40.0 nM 330.39 C[C@@H](O)c1nccc(N2CCN(c3ccnc(CCO)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL139187 OBDepict CH 3 N N N N H H 3 C N H CH 3 N N OH CH 3 H IC50 = 43.0 nM 405.51 Cc1nc(-c2ccccc2)nc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL844302 single protein format
CHEMBL556517 OBDepict H HO H 3 C N N N N N IC50 = 44.0 nM 335.41 C[C@@H](O)c1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL150296 OBDepict OH N N N N H CH 3 N N HO CH 3 H IC50 = 59.0 nM 344.42 C[C@H]1CN(c2ccnc(CCO)n2)CCN1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151394 OBDepict H HO H 3 C N N N N N N IC50 = 67.0 nM 362.44 C[C@@H](O)c1nccc(N2CCN(c3nccc(-c4ccccc4)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL150734 OBDepict CH 3 CH 3 N N N H 3 C CH 3 N N N OH H 3 C H IC50 = 72.0 nM 370.5 CC(C)c1cc(C(C)C)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL356692 OBDepict H OH H 3 C N N N N N O N IC50 = 80.0 nM 326.36 C[C@@H](O)c1nccc(N2CCN(c3nc4cnccc4o3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL348427 OBDepict H 3 C N N N CH 3 N N N OH CH 3 H IC50 = 80.0 nM 342.45 CCc1cc(CC)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL150803 OBDepict OH N CH 3 N N H H 3 C N N N OH H 3 C H IC50 = 80.0 nM 344.42 Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)C[C@@H]2C)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL149409 OBDepict H CH 3 N N N N N N OH CH 3 H IC50 = 99.0 nM 350.43 C[C@H]1CN(c2ccnc([C@@H](C)O)n2)CCN1c1cnc2ccccc2n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151560 OBDepict OH N CH 3 N N H CH 3 N H H 3 C N N OH H 3 C H IC50 = 100.0 nM 358.45 Cc1cc(CO)nc(N2C[C@H](C)N(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL347575 OBDepict CH 3 N N N N N N OH H 3 C H IC50 = 110.0 nM 300.37 Cc1ccnc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151690 OBDepict Cl Cl N N N N N N OH CH 3 H IC50 = 120.0 nM 405.29 C[C@@H](O)c1nccc(N2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL346682 OBDepict OH N CH 3 N N H H 3 C H CH 3 N N N OH H 3 C H IC50 = 130.0 nM 358.45 Cc1cc(CO)nc(N2[C@@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL148936 OBDepict OH N CH 3 N N H H 3 C N N N OH H 3 C H IC50 = 140.0 nM 344.42 Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)C[C@H]2C)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL147197 OBDepict H OH H 3 C N N N N N O N IC50 = 170.0 nM 326.36 C[C@@H](O)c1nccc(N2CCN(c3nc4ncccc4o3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151567 OBDepict OH N CH 3 N N N H H 3 C N N OH H 3 C H IC50 = 170.0 nM 344.42 Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL91846 OBDepict H 3 C OH N N N N S N O O CH 3 H 3 C IC50 = 173.0 nM 315.4 CC(O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 Homo sapiens CHEMBL800733 single protein format
CHEMBL345259 OBDepict H CH 3 N N N H CH 3 N N N OH CH 3 H IC50 = 180.0 nM 364.45 C[C@H]1CN(c2cnc3ccccc3n2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL148436 OBDepict H OH CH 3 N N N N N N F F F F F F IC50 = 190.0 nM 422.33 C[C@@H](O)c1nccc(N2CCN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL151602 OBDepict OH N CH 3 N N N H H 3 C N N OH H 3 C H IC50 = 200.0 nM 344.42 Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)[C@@H](C)C2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL277816 OBDepict CH 3 O N N N H H 3 C N H H 3 C N N O H 3 C IC50 = 212.0 nM 354.41 CC(=O)c1nccc(N2C[C@H](C)N(c3ccnc(C(C)=O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801255 single protein format
CHEMBL151704 OBDepict CH 3 N N N N N N OH H 3 C H IC50 = 220.0 nM 376.46 Cc1cc(-c2ccccc2)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL90488 OBDepict OH N N N N S N O O H 3 C CH 3 IC50 = 240.0 nM 301.37 CN(C)S(=O)(=O)N1CCN(c2ccnc(CO)n2)CC1 Homo sapiens CHEMBL801253 single protein format
CHEMBL348663 OBDepict OH N N N N N N OH IC50 = 260.0 nM 302.34 OCc1nccc(N2CCN(c3ccnc(CO)n3)CC2)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL345725 OBDepict H H 3 C N N N H CH 3 N O N OH CH 3 H N IC50 = 270.0 nM 354.41 C[C@H]1CN(c2nc3ccncc3o2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 Homo sapiens CHEMBL801253 single protein format
CHEMBL146805 OBDepict OH N N N N N S IC50 = 330.0 nM 327.41 OCc1nccc(N2CCN(c3nsc4ccccc34)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL151268 OBDepict OH N N N N N N CH 3 CH 3 IC50 = 350.0 nM 300.37 Cc1cc(C)nc(N2CCN(c3ccnc(CO)n3)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL357712 OBDepict OH N N N N N O IC50 = 410.0 nM 311.35 OCc1nccc(N2CCN(c3noc4ccccc34)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL358327 OBDepict OH N N N N N IC50 = 430.0 nM 321.38 OCc1nccc(N2CCN(c3nccc4ccccc34)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL423753 OBDepict OH N N N N N CH 3 N CH 3 IC50 = 480.0 nM 300.37 Cc1cc(N2CCN(c3ccnc(CO)n3)CC2)nc(C)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL330334 OBDepict H 3 C O CH 3 H N N N N S N O O CH 3 H 3 C IC50 = 486.0 nM 329.43 CO[C@@H](C)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 Homo sapiens CHEMBL800733 single protein format
CHEMBL148935 OBDepict HO N N N N N N Cl N Cl IC50 = 490.0 nM 342.19 OCc1nccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL151605 OBDepict OH N N N N N IC50 = 590.0 nM 321.38 OCc1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL148647 OBDepict HO N N N N N O IC50 = 740.0 nM 311.35 OCc1nccc(N2CCN(c3nc4ccccc4o3)CC2)n1 Homo sapiens CHEMBL882165 assay format
CHEMBL284537 OBDepict H OH CH 3 N N N H H 3 C N H H 3 C N N OH H 3 C H IC50 = 831.0 nM 358.45 C[C@H](O)c1nccc(N2C[C@H](C)N(c3ccnc([C@H](C)O)n3)[C@H](C)C2)n1 Homo sapiens CHEMBL801254 single protein format
CHEMBL148822 OBDepict OH N N N N N N IC50 = 890.0 nM 322.37 OCc1nccc(N2CCN(c3ncnc4ccccc34)CC2)n1 Homo sapiens CHEMBL882165 assay format