Structure of PDB 1cpu Chain A Binding Site BS02 |
| >1cpu 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 | AGL |
| InChI | InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | RJKBJEZZABBYBA-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N | | OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N | | CACTVS 3.341 | C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N | | ACDLabs 10.04 | OC1C(N)C(OC(O)C1O)C | | OpenEye OEToolkits 1.5.0 | CC1C(C(C(C(O1)O)O)O)N |
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| Formula | C6 H13 N O4 |
| Name | 4-amino-4,6-dideoxy-alpha-D-glucopyranose;
4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE;
4-amino-4-deoxy-alpha-D-quinovopyranose;
4-amino-4,6-dideoxy-alpha-D-glucose;
4-amino-4,6-dideoxy-D-glucose;
4-amino-4,6-dideoxy-glucose |
| ChEMBL | |
| DrugBank | DB03439 |
| ZINC |
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| PDB chain | 1cpu Chain B Residue 2
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