ITC Summary

Reaction Details

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Cell Reactant:

Reverse transcriptase (HIV-1 RT)(1-350)

Syringe Reactant:

BDBM1434

Meas. Tech.:

Enzyme Inhibition

Entry Date:

06/16/17

ΔG°:

-30.1±11 (kcal/mole)

pH:

n/a

Log₁₀Kb:

n/a

Temperature:

298.15±0 (K)

ΔH° :

-47.1± (kcal/mole)

ΔH_obs:

n/a

Ionic Strength:

n/a

Corrected for ΔH_ioniz:

n/a

Protons Released:

n/a

ΔC_p :

n/a

Stoich. Param.:

n/a

ΔS° :

-0.0100±0.0100 (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:

MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQI
LGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAA
DTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGAT
PQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTT
STLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRF
YKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTAC

BDBM1434

Source:

n/a

Purity:

n/a

Prep. Method:

n/a

Name

BDBM1434

Synonyms:

11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one | 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | BI-RG-587 | CHEMBL57 | Nevirapine | Nevirapine (NVP) | US11420959, Example NVP | Viramune

Type

Small organic molecule

Emp. Form.

C15H14N4O

Mol. Mass.

266.2979

SMILES

Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12

Structure

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