Ki Summary

Reaction Details

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Target

Reverse transcriptase

Ligand

BDBM50183201

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_479606 (CHEMBL926802)

IC50

35±n/a nM

Citation

Tucker, TJ; Saggar, S; Sisko, JT; Tynebor, RM; Williams, TM; Felock, PJ; Flynn, JA; Lai, MT; Liang, Y; McGaughey, G; Liu, M; Miller, M; Moyer, G; Munshi, V; Perlow-Poehnelt, R; Prasad, S; Sanchez, R; Torrent, M; Vacca, JP; Wan, BL; Yan, Y The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg Med Chem Lett18:2959-66 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Reverse transcriptase

Name:

Reverse transcriptase

Synonyms:

n/a

Type:

Protein

Mol. Mass.:

29598.37

Organism:

Human immunodeficiency virus 1

Description:

Q9WKE8

Residue:

254

Sequence:

PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVF
AIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLD
KDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIY
QYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTV
QPIVLPEKDSWTVN

BDBM50183201

n/a

Name

BDBM50183201

Synonyms:

CHEMBL379722 | N-(2-chloro-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide

Type

Small organic molecule

Emp. Form.

C18H19ClN6O3S2

Mol. Mass.

466.965

SMILES

Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O |(15.06,-12.69,;15.39,-11.18,;14.25,-10.14,;14.59,-8.64,;13.45,-7.6,;16.05,-8.17,;17.19,-9.2,;18.66,-8.73,;16.86,-10.72,;16.38,-6.66,;15.35,-5.51,;16.12,-4.18,;17.63,-4.5,;17.78,-6.04,;19.12,-6.81,;20.45,-6.04,;21.78,-6.81,;21.78,-8.35,;23.12,-6.05,;24.45,-6.82,;24.44,-8.36,;25.77,-9.13,;27.11,-8.36,;27.11,-6.82,;25.78,-6.05,;25.77,-4.51,;28.44,-9.13,;29.77,-9.9,;27.67,-10.47,;29.22,-7.8,)|

Structure