Structure of PDB 3ij8 Chain A Binding Site BS04 |
| >3ij8 Chain A (length=496) Species: 9606 (Homo sapiens)
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QYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVA
IYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVIN
HMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIEN
YNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASK
HMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGN
GRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHD
NQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQN
GNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNV
VDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYC
DVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL |
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| Ligand ID | B9D |
| InChI | InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | YQZCKDSOGGIGPL-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.370 | OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.7.6 | C(C1(C(C(C(C(O1)O)O)O)O)F)O | | ACDLabs 12.01 | FC1(OC(O)C(O)C(O)C1O)CO | | OpenEye OEToolkits 1.7.6 | C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O | | CACTVS 3.370 | OC[C@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C6 H11 F O6 |
| Name | 5-fluoro-alpha-L-idopyranose;
(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;
5-fluoro-alpha-L-idose;
5-fluoro-L-idose;
5-fluoro-idose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098208694
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| PDB chain | 3ij8 Chain A Residue 504
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