Ki Summary

Reaction Details

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Target

Reverse transcriptase/RNaseH

Ligand

BDBM50036506

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_195535 (CHEMBL800982)

IC50

160±n/a nM

Citation

Silverman, BD; Platt, DE Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. J Med Chem39:2129-40 (1996) [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

BDBM50036506

n/a

Name

BDBM50036506

Synonyms:

4-Chloro-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione | CHEMBL69674

Type

Small organic molecule

Emp. Form.

C15H18ClN3S

Mol. Mass.

307.842

SMILES

CC(C)=CCN1CCn2c3c(C1)cc(Cl)cc3[nH]c2=S |(16.27,-12.71,;14.74,-12.73,;13.98,-14.07,;13.94,-11.41,;14.7,-10.06,;13.88,-8.71,;14.6,-7.1,;13.86,-5.77,;12.35,-5.52,;11.2,-6.56,;11.2,-8.11,;12.39,-9.06,;9.88,-8.88,;8.54,-8.11,;7.2,-8.89,;8.54,-6.56,;9.88,-5.8,;10.2,-4.29,;11.73,-4.14,;12.52,-2.82,)|

Structure