Structure of PDB 8vlg Chain B Binding Site BS02 |
| >8vlg Chain B (length=540) Species: 9606 (Homo sapiens)
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AELKMDQALLLIHNELLWTNLTVYWKSECCYHCLFQVLVNVPQSPKAGKP
SAAAASVSTQHGSILQLNDTLEEKEVCRLEYRFGEFGNYSLLVKNIIACD
LAVNEDPVDSNLPVSIAFLIGLAVIIVISFLRLLLSLDDFNNWISKAIPP
RLRSVDTFRGIALILMVFVNYGGGKYWYFKHASWNGLTVADLVFPWFVFI
MGSSIFLSMTSILQRGCSKFRLLGKIAWRSFLLICIGIIIVNPNYCLGPL
SWDKVRIPGVLQRLGVTYFVVAVLELLFAKPVPSCLSLRDITSSWPQWLL
ILVLEGLWLGLTFLLPVPGCPTGYLGPGGIGDFGKYPNCTGGAAGYIDRL
LLGDDHLYQHPSSAVLYHTEVAYDPEGILGTINSIVMAFLGVQAGKILLY
YKARTKDILIRFTAWCCILGLISVALTKVSENEGFIPVNKNLWSLSYVTT
LSSFAFFILLVLYPVVDVKGLWTGTPFFYPGMNSILVYVGHEVFENYFPF
QWKLKDNQSHKEHLTQNIVATALWVLIAYILYRKKIFWKI |
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| Ligand ID | A1ACY |
| InChI | InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1 |
| InChIKey | XPBYRVZLJCNXMD-JPIRQXTESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N)ccc12 | | OpenEye OEToolkits 2.0.7 | CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N | | OpenEye OEToolkits 2.0.7 | CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)N | | CACTVS 3.385 | CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)ccc12 | | ACDLabs 12.01 | CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12 |
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| Formula | C16 H19 N O7 |
| Name | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8vlg Chain B Residue 704
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