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Q04760 | LGUL_HUMAN | Lactoylglutathione lyase (GLO1)

3D structures mapped by conservation among orthologs

[ Domain: "Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase" // Glyoxalase_1 ]

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[ Domain: "Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase" // Glyoxalase_6 ]

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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
CHEMBL4436073 OBDepict CH N OH O HN H NH O O O HO NH 2 H O HO Ki = 1.0 nM 448.43 C#Cc1cccc(N(O)C(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1 Homo sapiens CHEMBL4404013 single protein format
CHEMBL10372 OBDepict OH O N N O N S F F F Ki = 1.2 nM 419.38 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL4404016 single protein format
CHEMBL140 OBDepict CH 3 O OH O O O HO H 3 C Ki = 5.0 nM 368.39 COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O Homo sapiens CHEMBL4404008 single protein format
CHEMBL4450158 OBDepict CH N OH S O N H H N H O O O HO NH 2 H O HO Ki = 7.0 nM 466.47 C#Cc1ccc(N(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc1 Homo sapiens CHEMBL4404013 single protein format
CHEMBL4438930 OBDepict O NH H N H O S H 2 N H O HO N O O OH OH I Ki = 10.0 nM 568.35 N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(I)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL4404007 single protein format
CHEMBL2203964 OBDepict H 3 C O N N N OH O IC50 = 11.0 nM 375.43 COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL2203964 OBDepict H 3 C O N N N OH O Ki = 11.0 nM 375.43 COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 Homo sapiens CHEMBL4370205 single protein format
CHEMBL2203978 OBDepict H 3 C O N N N HO O IC50 = 14.0 nM 361.4 COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL128872 OBDepict O NH H N H O S H 2 N H O HO N O O OH OH Br Ki = 14.0 nM 521.35 N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL1160349 OBDepict O HN N H O S NH 2 O OH N O O HO OH Br Ki = 14.0 nM 521.35 NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684992 single protein format
CHEMBL127840 OBDepict CH 3 N OH S O HN H NH O O O HO NH 2 H O HO Ki = 16.0 nM 450.51 CCCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL128836 OBDepict H 3 C N OH S O HN H N H O O O OH H 2 N H O OH Ki = 18.0 nM 464.54 CCCCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL4559486 OBDepict CH N OH S O HN H NH O O O HO NH 2 H O HO Ki = 19.0 nM 466.47 C#Cc1cccc(N(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1 Homo sapiens CHEMBL4404013 single protein format
CHEMBL3220929 OBDepict CH N H O O N H N N N H F N H S O O CH 3 IC50 = 26.4 nM 586.65 C#CCCCC(=O)Nc1ccc(C(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2)cc1 Homo sapiens CHEMBL3224397 single protein format
CHEMBL2203976 OBDepict NH 2 O N N N OH O IC50 = 40.0 nM 436.47 NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1 Homo sapiens CHEMBL2212266 assay format
CHEMBL3220931 OBDepict F N N NH N H NH S O O CH 3 O IC50 = 45.8 nM 465.51 CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(Oc3ccccc3)cc2)ncc1F Homo sapiens CHEMBL3224397 single protein format
CHEMBL3629119 OBDepict CH 3 O O N H O HO NH O N H O S N O O HO HO Cl Ki = 46.0 nM 577.01 CCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL3631235 single protein format
CHEMBL131578 OBDepict O NH H N H O S H 2 N H O HO N O O OH OH Cl Ki = 46.0 nM 476.9 N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL1160350 OBDepict O HN N H O S NH 2 O OH N O O HO OH Cl Ki = 46.0 nM 476.9 NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684992 single protein format
CHEMBL3220930 OBDepict O O N H N N N H F N H S O O CH 3 IC50 = 51.3 nM 507.55 CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(C(=O)OCc3ccccc3)cc2)ncc1F Homo sapiens CHEMBL3224397 single protein format
CHEMBL3220932 OBDepict Cl N H N N NH F NH S O O CH 3 IC50 = 53.9 nM 407.86 CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(Cl)cc2)ncc1F Homo sapiens CHEMBL3224397 single protein format
CHEMBL218644 OBDepict O N H H NH O S H 2 N H O OH O HO Br Ki = 80.0 nM 476.35 N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL3300061 single protein format
CHEMBL3629118 OBDepict O NH NH O S NH O HO N O O OH HO O CH 3 Cl Ki = 130.0 nM 532.96 CC(=O)CNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL3631235 single protein format
CHEMBL1160353 OBDepict O NH NH O S NH 2 O HO N O O OH HO Ki = 160.0 nM 442.45 NC(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684992 single protein format
CHEMBL128935 OBDepict O NH H N H O S H 2 N H O HO N O O OH OH Ki = 160.0 nM 442.45 N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL129965 OBDepict H 3 C N OH S O HN H N H O O O OH H 2 N H O OH Ki = 170.0 nM 436.49 CCCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL128447 OBDepict CH 3 N OH S O HN H NH O O O HO NH 2 H O HO Ki = 180.0 nM 422.46 CCCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O Homo sapiens CHEMBL684991 single protein format
CHEMBL1234300 OBDepict CH 3 O O CH 3 OH O OH CH 3 HO Ki = 230.0 nM 304.3 COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O Homo sapiens CHEMBL4370205 single protein format
CHEMBL2203975 OBDepict HO N O N H IC50 = 250.0 nM 302.33 O=c1cc(-c2ccccc2)cc(-c2ccc3[nH]ccc3c2)n1O Homo sapiens CHEMBL2212266 assay format
CHEMBL2203963 OBDepict H 3 C O N N HO O IC50 = 260.0 nM 360.41 COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)ccc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL2203974 OBDepict HO N O N N H IC50 = 280.0 nM 303.32 O=c1cc(-c2ccccc2)cc(-c2cnc3[nH]ccc3c2)n1O Homo sapiens CHEMBL2212266 assay format
CHEMBL2203965 OBDepict H 3 C O N N OH O IC50 = 300.0 nM 374.44 COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)ccc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL2203966 OBDepict H 3 C N N N HO O IC50 = 300.0 nM 359.43 CCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL3629117 OBDepict NH 2 N H O O HO NH O N H O S N O O HO HO Cl Ki = 330.0 nM 547.97 NCCC(=O)NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL3631235 single protein format
CHEMBL4559294 OBDepict Cl N HN S O O N IC50 = 370.0 nM 395.87 O=S(=O)(Nc1ccc(-c2cccc(Cl)c2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL4516514 OBDepict H 3 C O O CH 3 HN S N O O N IC50 = 460.0 nM 449.53 COc1cc(CCc2cc(NS(=O)(=O)c3ccccn3)c3ncccc3c2)cc(OC)c1 Homo sapiens CHEMBL4370193 assay format
CHEMBL4543065 OBDepict Cl N HN S O O N IC50 = 480.0 nM 395.87 O=S(=O)(Nc1ccc(-c2ccc(Cl)cc2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL2203977 OBDepict NH 2 O N N OH O IC50 = 480.0 nM 435.48 NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)ccc32)c1 Homo sapiens CHEMBL2212266 assay format
CHEMBL4539074 OBDepict O S HN O N N IC50 = 500.0 nM 361.43 O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL2203967 OBDepict H 3 C N N N OH O IC50 = 510.0 nM 373.46 CCCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 Homo sapiens CHEMBL2212266 assay format
CHEMBL4457949 OBDepict Cl Cl N HN S O O N IC50 = 540.0 nM 430.32 O=S(=O)(Nc1ccc(-c2ccc(Cl)c(Cl)c2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL164 OBDepict OH OH O O HO HO OH HO IC50 = 560.0 nM 318.24 O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL967534 assay format
CHEMBL4571524 OBDepict CH 3 O Cl N HN S O O N IC50 = 590.0 nM 425.9 COc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1Cl Homo sapiens CHEMBL4370193 assay format
CHEMBL4573731 OBDepict CH 3 O N HN S O O N IC50 = 640.0 nM 391.45 COc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1 Homo sapiens CHEMBL4370193 assay format
CHEMBL4466017 OBDepict F N HN S O O N IC50 = 720.0 nM 379.42 O=S(=O)(Nc1ccc(-c2ccc(F)cc2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL69863 OBDepict OH OH OH HO IC50 = 760.0 nM 244.25 Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1 Homo sapiens CHEMBL3997252 cell-based format
CHEMBL4514413 OBDepict O S HN O N N IC50 = 790.0 nM 389.48 O=S(=O)(Nc1ccc(CCc2ccccc2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL4532036 OBDepict F N N H S O O N IC50 = 790.0 nM 407.47 O=S(=O)(Nc1ccc(CCc2ccc(F)cc2)c2cccnc12)c1ccccn1 Homo sapiens CHEMBL4370193 assay format
CHEMBL129597 OBDepict CH 3 N HO S O N H H NH O O O OH NH 2 H O OH Ki = 800.0 nM 408.43 CCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O Homo sapiens CHEMBL684991 single protein format