Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHIV-1 Reverse Transcriptase
LigandBDBM1539
Substrate/Competitorpoly(rC):oligo(dG)
Meas. Tech.HIV-1 RT Assay
IC50 10±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
Name:HIV-1 Reverse Transcriptase
Synonyms:EC: 2.7.7.49
Type:Protein Complex
Mol. Mass.:113858
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Reverse Transcriptase Chain A
Synonyms:n/a
Type:Enzyme Subunit
Mol. Mass.:63928.81
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:556
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Reverse Transcriptase Chain B
Synonyms:n/a
Type:Enzyme Subunit
Mol. Mass.:49968.63
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:428
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM1539
NameBDBM1539
Synonyms:2-ethyl-5-[(2-hydroxyethyl)(methyl)amino]-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | 5,11-dihydro-2-[N-(hydroxyethyl)-N-methylamino]-11-ethyl-4-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one | Dipyridodiazepinone deriv. 26
TypeSmall organic molecule
Emp. Form.C17H21N5O2
Mol. Mass.327.3809
SMILESCCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N(C)CCO
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