Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50370232
Substrate
n/a
Meas. Tech.
ChEMBL_1451023 (CHEMBL3366098)
IC50
30±n/a nM
Citation
Bellale, E; Naik, M; V B, V; Ambady, A; Narayan, A; Ravishankar, S; Ramachandran, V; Kaur, P; McLaughlin, R; Whiteaker, J; Morayya, S; Guptha, S; Sharma, S; Raichurkar, A; Awasthy, D; Achar, V; Vachaspati, P; Bandodkar, B; Panda, M; Chatterji, M Diarylthiazole: an antimycobacterial scaffold potentially targeting PrrB-PrrA two-component system. J Med Chem 57:6572-82 (2014) [PubMed] Article
More Info.:
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:
BDBM50370232
Synonyms:
BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampicin
Type:
Small organic molecule
Emp. Form.:
C43H58N4O12
Mol. Mass.:
822.9402
SMILES:
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|