Ki Summary

Reaction Details

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Target

Reverse transcriptase

Ligand

BDBM50492151

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_968173 (CHEMBL2399276)

IC50

5.5±n/a nM

Citation

Sturino, CF; Bousquet, Y; James, CA; DeRoy, P; Duplessis, M; Edwards, PJ; Halmos, T; Minville, J; Morency, L; Morin, S; Thavonekham, B; Tremblay, M; Duan, J; Ribadeneira, M; Garneau, M; Pelletier, A; Tremblay, S; Lamorte, L; Bethell, R; Cordingley, MG; Rajotte, D; Simoneau, B Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in vivo optimization of a series of benzofurano[3,2-d]pyrimidin-2-one derived inhibitors. Bioorg Med Chem Lett23:3967-75 (2013) [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

BDBM50492151

n/a

Name

BDBM50492151

Synonyms:

CHEMBL2397588

Type

Small organic molecule

Emp. Form.

C26H27N7O3

Mol. Mass.

485.5377

SMILES

CCC1(CC(C1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1)OC |(52.36,-18.14,;51.27,-19.22,;51.67,-20.72,;53.19,-20.95,;52.96,-22.47,;51.44,-22.24,;53.87,-23.71,;53.25,-25.13,;51.78,-25.61,;50.44,-24.85,;49.11,-25.62,;49.11,-27.16,;50.44,-27.93,;51.78,-27.16,;53.25,-27.64,;54.17,-26.38,;55.71,-26.22,;56.33,-24.8,;55.42,-23.54,;56.04,-22.13,;56.61,-27.45,;55.99,-28.86,;56.9,-30.1,;58.43,-29.94,;59.34,-31.18,;60.87,-31.01,;59.05,-28.52,;58.14,-27.28,;47.79,-24.84,;46.38,-25.47,;45.35,-24.32,;46.12,-22.99,;45.49,-21.58,;47.62,-23.31,;50.17,-20.31,;49.78,-18.83,)|

Structure