Structure of PDB 1u30 Chain A Binding Site BS03 |
| >1u30 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 | GOX |
| InChI | InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1 |
| InChIKey | VBXHGXTYZGYTQG-SQOUGZDYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.5 | C(C1C(C(C(C(=NO)N1)O)O)O)O | | OpenEye OEToolkits 1.7.5 | C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O | | CACTVS 3.385 | OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O | | ACDLabs 10.04 | OC1C(O)C(O)C(=N\O)\NC1CO |
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| Formula | C6 H12 N2 O5 |
| Name | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL;
D-GLUCONHYDROXIMO-1,5-LACTAM |
| ChEMBL | CHEMBL1213470 |
| DrugBank | DB02376 |
| ZINC |
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| PDB chain | 1u30 Chain A Residue 500
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