Reaction Details  Report a problem with these data
Cell Reactant:
Reverse transcriptase (HIV-1 RT)(1-350)
Syringe Reactant:
BDBM50103642
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2017-06-16
ΔG°:
-36.84±10.72 (kcal/mole)
Temperature:
298.1500±0.0000 (K)
ΔH° :
-59.81±n/a (kJ/mole)
ΔS° :
-0.08±0.03 (kJ/mole-K)
Citation
 Decha, P; Intharathep, P; Udommaneethanakit, T; Sompornpisut, P; Hannongbua, S; Wolschann, P; Parasuk, V Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions. J Enzyme Inhib Med Chem 26:29-36 (2011) [PubMed]  Article
Cell React
Name:
Reverse transcriptase (HIV-1 RT)(aa 1-350)
Synonyms:
POL_HV1H2 | gag-pol
Type:
Enzyme
Mol. Mass.:
39217.95
Organism:
Human immunodeficiency virus type 1
Description:
HIV-1 RT variant (1-350 aa)
Residue:
350
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTAC
  
Syringe React
Name:
BDBM50103642
Synonyms:
CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile | 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | ETRAVIRINE | Etravirine (TMC125) | Etravirine (ETR) | Etravirine (ETV)
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: