Reaction Details |
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Target | Lactoylglutathione lyase |
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Ligand | BDBM50126961 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1524147 (CHEMBL3631232) |
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Ki | 1.000000±n/a nM |
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Citation | Sang, Y; Shi, Q; Mo, M; Ni, C; Li, Z; Liu, B; Deng, Q; Creighton, DJ; Zheng, ZB Novel bivalent inhibitors with sub-nanomolar affinities towards human glyoxalase I. Bioorg Med Chem Lett25:4724-7 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lactoylglutathione lyase |
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Name: | Lactoylglutathione lyase |
Synonyms: | Aldoketomutase | GLO1 | Glx I | Glyoxalase 1 (GLO1) | Glyoxalase I | Ketone-aldehyde mutase | LGUL_HUMAN | Methylglyoxalase | S-D-lactoylglutathione methylglyoxal lyase |
Type: | Enzyme |
Mol. Mass.: | 20772.95 |
Organism: | Homo sapiens (Human) |
Description: | Q04760 |
Residue: | 184 |
Sequence: | MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLIQK
CDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNS
DPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEILNPNKM
ATLM
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BDBM50126961 |
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n/a |
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Name | BDBM50126961 |
Synonyms: | CHEMBL3629115 |
Type | Small organic molecule |
Emp. Form. | C82H128Br2N12O33S2 |
Mol. Mass. | 2033.892 |
SMILES | ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1 |
Structure |
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