Structure of PDB 7k7m Chain A Binding Site BS03 |
| >7k7m Chain A (length=756) Species: 246196 (Mycolicibacterium smegmatis MC2 155)
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MFAWWGRTVYQFRYIVIGVMVALCLGGGVYGISLGNHVTQSGFYDEGSQS
VAASLIGDEVYGRDRTSHVVAILTPPDDKKVTDKAWQKKVTEELDQVVKD
HEDQIVGWVGWLKAPDTTDPTVSAMKTQDLRHTFISIPLQGDDDDEILKN
YQVVEPELQQVNGGDIRLAGLNPLASELTGTIGEDQKRAEVAAIPLVAVV
LFFVFGTVIAAALPAIIGGLAIAGALGIMRLVAEFTPVHFFAQPVVTLIG
LGIAIDYGLFIVSRFREEIAEGYDTEAAVRRTVMTSGRTVVFSAVIIVAS
SVPLLLFPQGFLKSITYAIIASVMLAAILSITVLAAALAILGPRVDALGV
TTLLKIPFLANWQFSRRIIDWFAEKTQKTKTREEVERGFWGRLVNVVMKR
PIAFAAPILVVMVLLIIPLGQLSLGGISEKYLPPDNAVRQSQEQFDKLFP
GFRTEPLTLVMKREDGEPITDAQIADMRAKALTVSGFTDPDNDPEKMWKE
RPANDSGSKDPSVRVIQNGLENRNDAAKKIDELRALQPPHGIEVFVGGTP
ALEQDSIHSLFDKLPLMALILIVTTTVLMFLAFGSVVLPIKAALMSALTL
GSTMGILTWMFVDGHGSGLMNYTPQPLMAPMIGLIIAVIWGLSTDYEVFL
VSRMVEARERGMSTAEAIRIGTATTGRLITGAALILAVVAGAFVFSDLVM
MKYLAFGLLIALLLDATIIRMFLVPAVMKLLGDDCWWAPRWMKRVQEKLG
LGETEL |
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| Ligand ID | U2D |
| InChI | InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1 |
| InChIKey | WVGXAJWVJXKEID-JZYAIQKZSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O | | CACTVS 3.385 | CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | | ACDLabs 12.01 | C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O |
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| Formula | C16 H30 O7 |
| Name | 6-O-decanoyl-alpha-D-glucopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7k7m Chain D Residue 1
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