Reaction Details |
| Report a problem with these data |
Target | Enoyl-[acyl-carrier-protein] reductase [NADH] |
---|
Ligand | BDBM50295340 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1732049 (CHEMBL4147585) |
---|
Ki | 172±n/a nM |
---|
Citation | Chollet, A; Maveyraud, L; Lherbet, C; Bernardes-Génisson, V An overview on crystal structures of InhA protein: Apo-form, in complex with its natural ligands and inhibitors. Eur J Med Chem146:318-343 (2018) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Enoyl-[acyl-carrier-protein] reductase [NADH] |
---|
Name: | Enoyl-[acyl-carrier-protein] reductase [NADH] |
Synonyms: | Enoyl-ACP Reductase (InhA) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-[acyl-carrier-protein] reductase [NADH] | INHA_MYCTU | NADH-dependent enoyl-ACP reductase | inhA |
Type: | Enzyme |
Mol. Mass.: | 28526.00 |
Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Description: | P9WGR1 |
Residue: | 269 |
Sequence: | MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPL
LELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGI
HISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAG
KYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAK
TVCALLSDWLPATTGDIIYADGGAHTQLL
|
|
|
BDBM50295340 |
---|
n/a |
---|
Name | BDBM50295340 |
Synonyms: | CHEMBL4174518 |
Type | Small organic molecule |
Emp. Form. | C27H31N8O15P2 |
Mol. Mass. | 769.5266 |
SMILES | NC(=O)c1c[n+](ccc1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| |
Structure |
|