Ki Summary

Reaction Details

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Target

Reverse transcriptase

Ligand

BDBM50532843

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1924015 (CHEMBL4426971)

IC50

580±n/a nM

Citation

Stanton, RA; Lu, X; Detorio, M; Montero, C; Hammond, ET; Ehteshami, M; Domaoal, RA; Nettles, JH; Feraud, M; Schinazi, RF Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors. Bioorg Med Chem Lett26:4101-5 (2016) [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

BDBM50532843

n/a

Name

BDBM50532843

Synonyms:

CHEMBL4545462

Type

Small organic molecule

Emp. Form.

C26H17F4N3O

Mol. Mass.

463.4263

SMILES

CCCCn1cc(C#N)c2c(c3C(=O)c4ccccc4-c3nc12)-c1ccc(cc1F)C(F)(F)F |(40.53,-30.12,;39.2,-30.9,;39.2,-32.44,;37.86,-33.22,;37.87,-34.76,;39.12,-35.67,;38.64,-37.14,;39.55,-38.38,;40.45,-39.63,;37.1,-37.14,;36.07,-38.27,;34.57,-37.96,;33.33,-38.87,;33.34,-40.41,;32.08,-37.97,;30.59,-38.29,;29.55,-37.16,;30.02,-35.69,;31.52,-35.37,;32.55,-36.5,;34.09,-36.5,;35.12,-35.35,;36.62,-35.67,;36.55,-39.74,;38.05,-40.05,;38.54,-41.51,;37.51,-42.67,;36,-42.35,;35.52,-40.88,;33.97,-40.88,;37.99,-44.13,;36.96,-45.28,;39.5,-44.45,;38.38,-45.62,)|

Structure