Structure of PDB 6t9p Chain A Binding Site BS02 |
| >6t9p Chain A (length=526) Species: 9606 (Homo sapiens)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
IIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWS
DIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPK
PKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGF
LALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAAS
VSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCS
RENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMP
DILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEG
LKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPAL
EFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERR
DQYTKAEEILSRSIVKRWANFAKYGNPQETQNQSTSWPVFKSTEQKYLTL
NTESTRIMTKLRAQQCRFWTSFFPKV |
|
|
| Ligand ID | MXB |
| InChI | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1 |
| InChIKey | ZMAXDRHDDCRKQC-MLHZQLSASA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | | OpenEye OEToolkits 2.0.7 | Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O | | OpenEye OEToolkits 2.0.7 | Cc1nccn1Cc2cn(nn2)CCC(c3ccccc3)NC(=O)C=NO | | CACTVS 3.385 | Cc1nccn1Cc2cn(CC[C@@H](NC(=O)\C=N\O)c3ccccc3)nn2 |
|
| Formula | C18 H21 N7 O2 |
| Name | (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide;
(2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6t9p Chain A Residue 607
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
