Reaction Details Report a problem with these data
Target
DNA polymerase catalytic subunit
Ligand
BDBM50172517
Substrate
n/a
Meas. Tech.
ChEMBL_321600 (CHEMBL872297)
pH
7.5±n/a
IC50
70±n/a nM
Comments
extracted
Citation
 Schnute, ME; Cudahy, MM; Brideau, RJ; Homa, FL; Hopkins, TA; Knechtel, ML; Oien, NL; Pitts, TW; Poorman, RA; Wathen, MW; Wieber, JL 4-Oxo-4,7-dihydrothieno[2,3-b]pyridines as non-nucleoside inhibitors of human cytomegalovirus and related herpesvirus polymerases. J Med Chem 48:5794-804 (2005) [PubMed]  Article 
Target
Name:
DNA polymerase catalytic subunit
Synonyms:
DNA polymerase | DPOL_VZVD
Type:
PROTEIN
Mol. Mass.:
134062.58
Organism:
Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3)
Description:
ChEMBL_321600
Residue:
1194
Sequence:
MAIRTGFCNPFLTQASGIKYNPRTGRGSNREFLHSYKTTMSSFQFLAPKCLDEDVPMEERKGVHVGTLSRPPKVYCNGKEVPILDFRCSSPWPRRVNIWGEIDFRGDKFDPRFNTFHVYDIVETTEAASNGDVSRFATATRPLGTVITLLGMSRCGKRVAVHVYGICQYFYINKAEVDTACGIRSGSELSVLLAECLRSSMITQNDATLNGDKNAFHGTSFKSASPESFRVEVIERTDVYYYDTQPCAFYRVYSPSSKFTNYLCDNFHPELKKYEGRVDATTRFLMDNPGFVSFGWYQLKPGVDGERVRVRPASRQLTLSDVEIDCMSDNLQAIPNDDSWPDYKLLCFDIECKSGGSNELAFPDATHLEDLVIQISCLLYSIPRQSLEHILLFSLGSCDLPQRYVQEMKDAGLPEPTVLEFDSEFELLIAFMTLVKQYAPEFATGYNIVNFDWAFIMEKLNSIYSLKLDGYGSINRGGLFKIWDVGKSGFQRRSKVKINGLISLDMYAIATEKLKLSSYKLDSVAREALNESKRDLPYKDIPGYYASGPNTRGIIGEYCIQDSALVGKLFFKYLPHLELSAVARLARITLTKAIYDGQQVRIYTCLLGLASSRGFILPDGGYPATFEYKDVIPDVGDVEEEMDEDESVSPTGTSSGRNVGYKGARVFDPDTGFYIDPVVVLDFASLYPSIIQAHNLCFTTLTLNFETVKRLNPSDYATFTVGGKRLFFVRSNVRESLLGVLLKDWLAMRKAIRARIPGSSSDEAVLLDKQQAAIKVVCNSVYGFTGVAQGFLPCLYVAATVTTIGRQMLLSTRDYIHNNWAAFERFITAFPDIESSVLSQKAYEVKVIYGDTDSVFIRFKGVSVEGIAKIGEKMAHIISTALFCPPIKLECEKTFIKLLLITKKKYIGVIYGGKVLMKGVDLVRKNNCQFINDYARKLVELLLYDDTVSRAAAEASCVSIAEWNRRAMPSGMAGFGRIIADAHRQITSPKLDINKFVMTAELSRPPSAYINRRLAHLTVYYKLVMRQGQIPNVRERIPYVIVAPTDEVEADAKSVALLRGDPLQNTAGKRCGEAKRKLIISDLAEDPIHVTSHGLSLNIDYYFSHLIGTASVTFKALFGNDTKLTERLLKRFIPETRVVNVKMLNRLQAAGFVCIHAPCWDNKMNTEAEITEEEQSHQIMRRVFCIPKAILHQS
  
Inhibitor
Name:
BDBM50172517
Synonyms:
4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxylic acid 4-chloro-benzylamide | CHEMBL363625 | N-(4-chlorobenzyl)-4-hydroxy-6-(3-hydroxypropyl)quinoline-3-carboxamide | PNU-181465
Type:
Small organic molecule
Emp. Form.:
C20H19ClN2O3
Mol. Mass.:
370.829
SMILES:
OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Structure:
Search PDB for entries with ligand similarity: