Structure of PDB 2ceq Chain A Binding Site BS01 |
| >2ceq Chain A (length=489) Species: 2287 (Saccharolobus solfataricus)
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MYSFPNSFRFGWSQAGFQSEMGTPGSEDPNTDWYKWVHDPENMAAGLVSG
DLPENGPGYWGNYKTFHDNAQKMGLKIARLNVEWSRIFPNPLPRPQNFDE
SKQDVTEVEINENELKRLDEYANKDALNHYREIFKDLKSRGLYFILNMYH
WPLPLWLHDPIRVRRGDFTGPSGWLSTRTVYEFARFSAYIAWKFDDLVDE
YSTMNEPNVVGGLGYVGVKSGFPPGYLSFELSRRAMYNIIQAHARAYDGI
KSVSKKPVGIIYANSSFQPLTDKDMEAVEMAENDNRWWFFDAIIRGEITR
GNEKIVRDDLKGRLDWIGVNYYTRTVVKRTEKGYVSLGGYGHGCERNSVS
LAGLPTSDFGWEFFPEGLYDVLTKYWNRYHLYMYVTENGIADDADYQRPY
YLVSHVYQVHRAINSGADVRGYLHWSLADNYEWASGFSMRFGLLKVDYNT
KRLYWRPSALVYREIATNGAITDEIEHLNSVPPVKPLRH |
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| Ligand ID | GIM |
| InChI | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1 |
| InChIKey | RZRDQZQPTISYKY-MVIOUDGNSA-O |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O | | ACDLabs 10.04 | OCC2[n+]1ccnc1C(O)C(O)C2O | | CACTVS 3.341 | OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12 | | OpenEye OEToolkits 1.5.0 | c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O | | CACTVS 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]12 |
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| Formula | C8 H13 N2 O4 |
| Name | GLUCOIMIDAZOLE;
(5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103543099
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| PDB chain | 2ceq Chain A Residue 1492
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