Target
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I]
Ligand
BDBM2147
Substrate
(rC)n.(dG)12-18
Meas. Tech.
HIV-1 RT Assay
IC50
3500±n/a nM
Citation
 Cantrell, ASEngelhardt, PHogberg, MJaskunas, SRJohansson, NGJordan, CLKangasmetsa, JKinnick, MDLind, PMorin, JMMuesing, MANoreen, ROberg, BPranc, PSahlberg, CTernansky, RJVasileff, RTVrang, LWest, SJZhang, H Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs. J Med Chem 39:4261-74 (1996) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase Mutant (L100I)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [588-1147,L687I]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (L100I) Chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
64486.41
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1147,L687I]
Residue:
560
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGIKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVL
  
Component 2
Name:
Gag-Pol polyprotein [588-1127,L687I]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (L100I) Chain B | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
51337.13
Organism:
Human immunodeficiency virus type 1
Description:
P04585[588-1127,L687I]
Residue:
440
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGIKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETF
  
Inhibitor
Name:
BDBM2147
Synonyms:
1-(5-cyanopyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]thiourea | LY300046HCl Analog 33 | N-[2-[2-(1-Methylpyrrolyl)]ethyl]-N-[2-(5-cyanopyridyl)]-thiourea | PETT deriv.
Type:
Small organic molecule
Emp. Form.:
C14H15N5S
Mol. Mass.:
285.367
SMILES:
Cn1cccc1CCNC(=S)Nc1ccc(cn1)C#N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
(rC)n.(dG)12-18
Synonyms:
n/a
Type:
RNA-DNA duplex
Mol. Mass.:
358.43
Organism:
n/a
Description:
The incorporation of Tritium-labeled dGTP onto a poly(rC):oligo(dG)template:primer.
Residue:
3
Sequence:
NA