Structure of PDB 6c9z Chain B Binding Site BS01 |
| >6c9z Chain B (length=663) Species: 411459 (Blautia obeum ATCC 29174)
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MIRKYRYGAPFDTEALTEKIETAEEAFPYGEISQKEGFAFTYIMDEDDIV
YGLGESNRGINKRGYCYISNCTDDPIHTEDKRSLYGAHNFIIVSGKTTFG
LFFDYPSKLTFDIGYTRMDTLKVSCENADLDIYVIEGENAYDIVKQFRRV
IGRSYIPPKFAFGFGQSRYGYTTKEDFRAVAKGYRENHIPIDMIYMDIDY
MQDFKDFTVNEKNFPDFPEFVKEMKDQELRLIPIIDAGVKVEKGYEVYEE
GVKNNYFCKREDGSDFVAAVWPGDTHFPDMLNPEARKWFGDKYRFLIDQG
IEGFWNDMNEPAIFYSSEGLAEAKEFAGEFAKDTEGKIHPWAMQAKMKDI
VNSPEDYKRFYHNVNGKKIRHDKVHNLFGYNMTRAAGEAFERIDPEKRFL
MFSRSSYIGMHRYGGIWMGDNKSWWSHILLNLKMLPSLNMCGFMYTGADL
GGFGDDTTRDLLLRFLALGVFTPLMRDHAAEGTREQECYQFENIEDFRSV
INARYRLVPYLYSEYMKAALNDDMYFKPLGFVYPDDKMAIRVEDQLMLGN
EIMIAPVYEQNARGRYVYLPEEMKFIKFMPDGSISEEVLEKGVHYVDVAL
NEVPLFIRSGKCIPVAEAAECVKDIDTENMQLIGYEGSSYTLYEDDGIHK
DYDKKENYRVLTK |
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| Ligand ID | VOG |
| InChI | InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1 |
| InChIKey | FZNCGRZWXLXZSZ-CIQUZCHMSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 2.0.6 | C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO | | OpenEye OEToolkits 2.0.6 | C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO | | ACDLabs 12.01 | C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO | | CACTVS 3.385 | OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
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| Formula | C10 H21 N O7 |
| Name | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol;
voglibose |
| ChEMBL | CHEMBL476960 |
| DrugBank | DB04878 |
| ZINC | ZINC000003788703
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| PDB chain | 6c9z Chain B Residue 701
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