Structure of PDB 7vl2 Chain A Binding Site BS01 |
| >7vl2 Chain A (length=706) Species: 945713 (Ignavibacterium album JCM 16511)
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SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPW
DWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYEN
QGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMP
IISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRY
KTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKY
ISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDII
FGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKA
YAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAA
SNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQ
LLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCD
LKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLN
RCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAF
TQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELF
VSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSKSEEISIAPFSYK
VIKENK |
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| Ligand ID | BW3 |
| InChI | InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 |
| InChIKey | WYUFTYLVLQZQNH-CBQIKETKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | | OpenEye OEToolkits 2.0.7 | CCOC1C(C(C(C(O1)CO)O)O)O | | CACTVS 3.385 | CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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| Formula | C8 H16 O6 |
| Name | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;
Ethyl alpha-D-glucopyranoside |
| ChEMBL | CHEMBL2059297 |
| DrugBank | |
| ZINC | ZINC000013518823
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| PDB chain | 7vl2 Chain A Residue 801
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