Ki Summary

Reaction Details

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Target

Reverse transcriptase/RNaseH

Ligand

BDBM50050818

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_195535 (CHEMBL800982)

IC50

230±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

BDBM50050818

n/a

Name

BDBM50050818

Synonyms:

(6S,8R)-4-Chloro-6,8-dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one | CHEMBL304826

Type

Small organic molecule

Emp. Form.

C17H22ClN3O

Mol. Mass.

319.829

SMILES

C[C@@H]1Cn2c3c(cc(Cl)cc3[nH]c2=O)[C@H](C)N1CC=C(C)C |wU:14.16,1.0,(15.76,-6.79,;14.22,-6.81,;13.56,-5.44,;12.07,-5.09,;10.86,-6.04,;10.86,-7.58,;9.54,-8.36,;8.21,-7.58,;6.86,-8.37,;8.21,-6.04,;9.54,-5.27,;9.86,-3.77,;11.52,-3.66,;12.43,-2.4,;12.07,-8.55,;11.73,-10.06,;13.56,-8.21,;14.51,-9.44,;13.94,-10.86,;14.89,-12.07,;16.42,-11.84,;14.31,-13.5,)|

Structure