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Target
Reverse transcriptase/RNaseH
Ligand
BDBM2485
Substrate
n/a
Meas. Tech.
HIV-1 RT Assay
IC50
70±n/a nM
Citation
 Ragno, R; Mai, A; Sbardella, G; Artico, M; Massa, S; Musiu, C; Mura, M; Marturana, F; Cadeddu, A; La Colla, P Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant. J Med Chem 47:928-34 (2004) [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:
BDBM2485
Synonyms:
2-(cyclopentylamino)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one | 2-Cyclopentylamino-6-(2,6-difluorophenylmethyl)-3,4-dihydropyrimidin-4(3H)-one | F2-NH-DABO 9a
Type:
Small organic molecule
Emp. Form.:
C16H17F2N3O
Mol. Mass.:
305.3225
SMILES:
Fc1cccc(F)c1Cc1cc(=O)[nH]c(NC2CCCC2)n1
Structure:
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