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Target
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]
Ligand
BDBM1584
Substrate
poly(rC):oligo(dG)
Meas. Tech.
HIV-1 RT Assay
pH
7.8±n/a
Temperature
295.15±n/a K
IC50
1370±n/a nM
Citation
 Kelly, TA; Proudfoot, JR; McNeil, DW; Patel, UR; David, E; Hargrave, KD; Grob, PM; Cardozo, M; Agarwal, A; Adams, J Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. 5. 4-Substituted and 2,4-disubstituted analogs of nevirapine. J Med Chem 38:4839-47 (1995) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]
Synonyms:
EC: 2.7.7.49 | HIV-1 Reverse Transcriptase Mutant (Y181C)
Type:
Protein Complex
Mol. Mass.:
115564
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [600-1155,Y780C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C) Chain A | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
63868.77
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1155,Y780C]
Residue:
556
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGI
  
Component 2
Name:
Gag-Pol polyprotein [600-1027,Y780C]
Synonyms:
HIV-1 Reverse Transcriptase Mutant (Y181C) Chain B | POL_HV1B1 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
49908.60
Organism:
Human immunodeficiency virus type 1
Description:
P03366[600-1027,Y780C]
Residue:
428
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVICQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ
  
Inhibitor
Name:
BDBM1584
Synonyms:
1l-Cyclopropyl-5,l l-dihydro-C[(phenylamino)methyl]-6H-dipyrido[3,2-b:2 ,3 -e] [ 1,4]diazepin-6-one | 2-cyclopropyl-7-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one | Nevirapin 4-substituted deriv. 4g
Type:
Small organic molecule
Emp. Form.:
C21H19N5O
Mol. Mass.:
357.4085
SMILES:
O=C1Nc2c(CNc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
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:
NA