Structure of PDB 3qnq Chain C Binding Site BS01 |
|
|
|
| Ligand ID | ZDM |
| InChI | InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1 |
| InChIKey | KCCBGPCYGBPHBR-ZESVGKPKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | | CACTVS 3.370 | CCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | CACTVS 3.370 | CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | | ACDLabs 12.01 | O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | OpenEye OEToolkits 1.7.0 | CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
|
| Formula | C21 H40 O11 |
| Name | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
nonyl-beta-D-maltoside |
| ChEMBL | CHEMBL1738948 |
| DrugBank | |
| ZINC | ZINC000066157001
|
| PDB chain | 3qnq Chain C Residue 443
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
2.7.1.69: Transferred entry: 2.7.1.191, 2.7.1.192, 2.7.1.193, 2.7.1.194, 2.7.1.195, 2.7.1.196, 2.7.1.197, 2.7.1.198, 2.7.1.199, 2.7.1.200, 2.7.1.201, 2.7.1.202, 2.7.1.203, 2.7.1.204, 2.7.1.205, 2.7.1.206, 2.7.1.207 and 2.7.1.208. |
|
|
|
|
|
