Ki Summary

Reaction Details

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Target

Reverse transcriptase/RNaseH

Ligand

BDBM50192287

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_378455 (CHEMBL871029)

IC50

3800±n/a nM

Citation

Sluis-Cremer, N; Hamamouch, N; San Félix, A; Velazquez, S; Balzarini, J; Camarasa, MJ Structure-activity relationships of [2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]- 3'-spiro-5' '-(4' '-amino-1' ',2' '-oxathiole-2' ',2' '-dioxide)thymine derivatives as inhibitors of HIV-1 reverse transcriptase dimerization. J Med Chem49:4834-41 (2006) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Reverse transcriptase/RNaseH

Name:

Reverse transcriptase/RNaseH

Synonyms:

HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH

Type:

PROTEIN

Mol. Mass.:

65229.15

Organism:

Human immunodeficiency virus 1

Description:

ChEMBL_1473730

Residue:

566

Sequence:

PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKVLFLDGID

BDBM50192287

n/a

Name

BDBM50192287

Synonyms:

CHEMBL212868 | N-[(5R,6R,8R,9R)-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-8-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-4-yl]-guanidine

Type

Small organic molecule

Emp. Form.

C25H45N5O8SSi2

Mol. Mass.

631.89

SMILES

Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N=C(N)N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |wU:4.3,6.6,wD:16.16,27.29,c:21,(26.69,-32.35,;25.2,-31.95,;24.12,-33.04,;22.64,-32.64,;21.56,-33.73,;20.02,-33.5,;19.34,-34.88,;17.8,-34.88,;17.04,-33.54,;15.49,-33.54,;15.49,-35.08,;15.49,-32.01,;13.96,-33.54,;12.42,-33.54,;13.96,-35.08,;13.96,-32.01,;20.45,-35.94,;21.56,-37.01,;20.89,-38.38,;20.52,-39.88,;22.35,-38.9,;19.37,-38.17,;19.09,-36.64,;17.61,-36.21,;16.5,-37.28,;15.01,-36.85,;16.86,-38.78,;21.82,-35.23,;23.61,-36.11,;24.9,-35.27,;25.75,-36.55,;24.05,-33.98,;26.18,-34.41,;27.03,-35.69,;25.32,-33.13,;27.46,-33.56,;22.23,-31.16,;20.73,-30.77,;23.32,-30.07,;24.8,-30.47,;25.9,-29.37,)|

Structure