Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM16296
Substrate
BDBM16293
Meas. Tech.
Measurement of Inhibition Constants
pH
6.8±n/a
Temperature
295.15±n/a K
Ki
11.8±4.5 nM
Km
29000±n/a nM
Citation
 Sullivan, TJTruglio, JJBoyne, MENovichenok, PZhang, XStratton, CFLi, HJKaur, TAmin, AJohnson, FSlayden, RAKisker, CTonge, PJ High affinity InhA inhibitors with activity against drug-resistant strains of Mycobacterium tuberculosis. ACS Chem Biol 1:43-53 (2006) [PubMed]  Article 
Target
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:
MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
  
Inhibitor
Name:
BDBM16296
Synonyms:
5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphenol | 5-pentyl-2-phenoxyphenol | 5PP | AIDS227445 | PT03
Type:
Small organic molecule
Emp. Form.:
C17H20O2
Mol. Mass.:
256.3395
SMILES:
CCCCCc1ccc(Oc2ccccc2)c(O)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16293
Synonyms:
(2E)-Dodecenoyl-CoA | DD-CoA | trans-2-Dodecenoyl-Coenzyme A
Type:
n/a
Emp. Form.:
C33H56N7O17P3S
Mol. Mass.:
947.821
SMILES:
CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: