Target
Reverse transcriptase/RNaseH
Ligand
BDBM50171976
Substrate
n/a
Meas. Tech.
ChEMBL_306910 (CHEMBL829189)
pH
7.8±n/a
IC50
15±n/a nM
Comments
extracted
Citation
 O'Meara, JAYoakim, CBonneau, PRBös, MCordingley, MGDéziel, RDoyon, LDuan, JGarneau, MGuse, ILandry, SMalenfant, ENaud, JOgilvie, WWThavonekham, BSimoneau, B Novel 8-substituted dipyridodiazepinone inhibitors with a broad-spectrum of activity against HIV-1 strains resistant to non-nucleoside reverse transcriptase inhibitors. J Med Chem 48:5580-8 (2005) [PubMed]  Article 
Target
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:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGID
  
Inhibitor
Name:
BDBM50171976
Synonyms:
4-[2-(5-Ethyl-7-fluoro-10-methyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-2-yl)-ethoxy]-3-methyl-benzoic acid | CHEMBL189942
Type:
Small organic molecule
Emp. Form.:
C24H23FN4O4
Mol. Mass.:
450.4622
SMILES:
CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12
Structure:
Search PDB for entries with ligand similarity: