Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHIV-1 Reverse Transcriptase Mutant (Y181C)
LigandBDBM1563
Substrate/Competitorpoly(rC):oligo(dG)
Meas. Tech.HIV-1 RT Assay
IC50 50±n/a nM
Citation Proudfoot, JRHargrave, KDKapadia, SRPatel, URGrozinger, KGMcNeil, DWCullen, ECardozo, MTong, LKelly, TA Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. 4. 2-Substituted dipyridodiazepinones as potent inhibitors of both wild-type and cysteine-181 HIV-1 reverse transcriptase enzymes. J Med Chem38:4830-8 (1995) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
HIV-1 Reverse Transcriptase Mutant (Y181C)
Name:HIV-1 Reverse Transcriptase Mutant (Y181C)
Synonyms:EC: 2.7.7.49
Type:Protein Complex
Mol. Mass.:115564
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Reverse Transcriptase Mutant (Y181C) Chain A
Synonyms:n/a
Type:Enzyme Subunit
Mol. Mass.:63868.77
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:556
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVI
CQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Reverse Transcriptase Mutant (Y181C) Chain B
Synonyms:n/a
Type:Enzyme Subunit
Mol. Mass.:49908.60
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:428
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVI
CQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM1563
NameBDBM1563
Synonyms:2-cyclopropyl-9-methyl-5-(1H-pyrazol-4-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | Dipyridodiazepinone deriv. 54
TypeSmall organic molecule
Emp. Form.C18H16N6O
Mol. Mass.332.3592
SMILESCN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
poly(rC):oligo(dG)
Name:poly(rC):oligo(dG)
Synonyms:n/a
Type:RNA-DNA duplex
Mol. Mass.:358.43
Organism:n/a
Description:The incorporation of Tritium-labeled [3H]dGTP onto a (poly)rC:(oligo)dG template:primer.
Residue:3
Sequence:
n/a