Structure of PDB 2xgb Chain A Binding Site BS01 |
| >2xgb Chain A (length=486) Species: 4513 (Hordeum vulgare)
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NVKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVW
WGLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNI
PIPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYA
DYMTSFRENMKEFLDAGVIVDIEVGLGPAGEMRYPSYPQSHGWSFPGIGE
FICYDKYLQADFKAAAAAVGHPEWEFPNDVGQYNDTPERTQFFRDNGTYL
SEKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKISGIHWWYKV
PSHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQSSQA
MSAPEELVQQVLSAGWREGLNVACENALPRYDPTAYNTILRNARPHGINQ
SGPPEHKLFGFTYLRLSNQLVEGQNYANFKTFVDRMHANLPRDPYVDPMA
PLPRSGPEISIEMILQAAQPKLQPFPFQEHTDLPVG |
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| Ligand ID | EPG |
| InChI | InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1 |
| InChIKey | NXJZWOCFSMYDAS-NZJLWHDDSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | | OpenEye OEToolkits 1.5.0 | C1C(O1)COC2C(C(C(C(O2)CO)O)O)O | | CACTVS 3.341 | OC[CH]1O[CH](OC[CH]2CO2)[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | O(CC1OC1)C2OC(C(O)C(O)C2O)CO | | CACTVS 3.341 | OC[C@H]1O[C@H](OC[C@H]2CO2)[C@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C9 H16 O7 |
| Name | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside;
2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
2,3-EPOXYPROPYL-ALPHA-D-GLUCOPYRANOSIDE;
(2R)-oxiran-2-ylmethyl alpha-D-glucoside;
(2R)-oxiran-2-ylmethyl D-glucoside;
(2R)-oxiran-2-ylmethyl glucoside |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2xgb Chain A Residue 1500
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