Structure of PDB 3ij8 Chain A Binding Site BS03 |
| >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 | B0D |
| InChI | InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| InChIKey | MGHYRMVVRYCAON-PQMKYFCFSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C(C1(C(C(C(C(O1)F)O)O)O)F)O | | ACDLabs 11.02 | FC1OC(F)(C(O)C(O)C1O)CO | | OpenEye OEToolkits 1.7.0 | C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O | | CACTVS 3.352 | OC[C@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O | | CACTVS 3.352 | OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O |
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| Formula | C6 H10 F2 O5 |
| Name | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3ij8 Chain A Residue 503
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