Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88285 | Target Info | |||
| Target Name | Lactoylglutathione lyase (GLO1) | ||||
| Synonyms | S-D-lactoylglutathione methylglyoxal lyase; Methylglyoxalase; Ketone-aldehyde mutase; Glyoxalase I; GlxI; Glx I; GLO1; Aldoketomutase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GLO1 | ||||
| Biochemical Class | Carbon-sulfur lyases | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid | Ligand Info | |||
| Canonical SMILES | COC1=CC=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2 | ||||
| InChI | 1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+ | ||||
| InChIKey | SONSOTYJHQIJQV-JLHYYAGUSA-N | ||||
| PubChem Compound ID | 6243853 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7WT2 human glyoxalase I in complex with TLSC702 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
AEPQPPSGGL
10 TDEAALSCCS20 DADPSTKDFL30 LQQTMLRVKD40 PKKSLDFYTR50 VLGMTLIQKC 60 DFPIMKFSLY70 FLAYEDKNDI80 PKEKDEKIAW90 ALSRKATLEL100 THNWGTEDDE 110 TQSYHNGNSD120 PRGFGHIGIA130 VPDVYSACKR140 FEELGVKFVK150 KPDDGKMKGL 160 AFIQDPDGYW170 IEILNPNKMA180 TLM
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| PDB ID: 7WT0 human glyoxalase I (with C-ter His tag) in complex with TLSC702 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
AEPQPPSGGL
10 TDEAALSCCS20 DADPSTKDFL30 LQQTMLRVKD40 PKKSLDFYTR50 VLGMTLIQKC 60 DFPIMKFSLY70 FLAYEDKNDI80 PKEKDEKIAW90 ALSRKATLEL100 THNWGTEDDE 110 TQSYHNGNSD120 PRGFGHIGIA130 VPDVYSACKR140 FEELGVKFVK150 KPDDGKMKGL 160 AFIQDPDGYW170 IEILNPNKMA180 TLMLE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human glyoxalase I and its complex with TLSC702 reveal inhibitor binding mode and substrate preference. FEBS Lett. 2022 Jun;596(11):1458-1467. | ||||
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