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| 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: | 06/16/17 | ||
| ΔG°: | -36.8±10.7 (kcal/mole) | ||
| pH: | n/a | ||
| Log10Kb: | n/a | ||
| Temperature: | 298.15±0 (K) | ||
| ΔH° : | -59.8± (kcal/mole) | ||
| ΔHobs: | n/a | ||
| Ionic Strength: | n/a | ||
| n/a | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | -0.0800±0.0300 (kcal/mole-K) | ||
| Comments: | n/a | ||
| 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 Chem26:29-36 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data | ||
| Reverse transcriptase (HIV-1 RT)(1-350) | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| 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: |
| ||
| BDBM50103642 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM50103642 | ||
| Synonyms: | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile | CHEMBL308954 | ETRAVIRINE | Etravirine (ETR) | Etravirine (ETV) | Etravirine (TMC125) | TMC 125 | TMC-125 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H15BrN6O | ||
| Mol. Mass. | 435.277 | ||
| SMILES | Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N | ||
| Structure | 
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