Reaction Details Report a problem with these data
Target
DNA repair endonuclease XPF
Ligand
BDBM50555906
Substrate
n/a
Meas. Tech.
ChEMBL_2054160 (CHEMBL4709161)
IC50
490±n/a nM
Citation
 Elmenoufy, AH; Gentile, F; Jay, D; Karimi-Busheri, F; Yang, X; Soueidan, OM; Mani, RS; Ciniero, G; Tuszynski, JA; Weinfeld, M; West, FG Design, synthesis and in vitro cell-free/cell-based biological evaluations of novel ERCC1-XPF inhibitors targeting DNA repair pathway. Eur J Med Chem 204:0 (2020) [PubMed]  Article 
Target
Name:
DNA repair endonuclease XPF
Synonyms:
3.1.-.- | DNA excision repair protein ERCC-4 | DNA repair endonuclease XPF | DNA repair protein complementing XP-F cells | ERCC11 | ERCC4 | XPF | XPF_HUMAN | Xeroderma pigmentosum group F-complementing protein
Type:
PROTEIN
Mol. Mass.:
104490.29
Organism:
Homo sapiens
Description:
ChEMBL_117029
Residue:
916
Sequence:
MESGQPARRIAMAPLLEYERQLVLELLDTDGLVVCARGLGADRLLYHFLQLHCHPACLVLVLNTQPAEEEYFINQLKIEGVEHLPRRVTNEITSNSRYEVYTQGGVIFATSRILVVDFLTDRIPSDLITGILVYRAHRIIESCQEAFILRLFRQKNKRGFIKAFTDNAVAFDTGFCHVERVMRNLFVRKLYLWPRFHVAVNSFLEQHKPEVVEIHVSMTPTMLAIQTAILDILNACLKELKCHNPSLEVEDLSLENAIGKPFDKTIRHYLDPLWHQLGAKTKSLVQDLKILRTLLQYLSQYDCVTFLNLLESLRATEKAFGQNSGWLFLDSSTSMFINARARVYHLPDAKMSKKEKISEKMEIKEGEETKKELVLESNPKWEALTEVLKEIEAENKESEALGGPGQVLICASDDRTCSQLRDYITLGAEAFLLRLYRKTFEKDSKAEEVWMKFRKEDSSKRIRKSHKRPKDPQNKERASTKERTLKKKKRKLTLTQMVGKPEELEEEGDVEEGYRREISSSPESCPEEIKHEEFDVNLSSDAAFGILKEPLTIIHPLLGCSDPYALTRVLHEVEPRYVVLYDAELTFVRQLEIYRASRPGKPLRVYFLIYGGSTEEQRYLTALRKEKEAFEKLIREKASMVVPEEREGRDETNLDLVRGTASADVSTDTRKAGGQEQNGTQQSIVVDMREFRSELPSLIHRRGIDIEPVTLEVGDYILTPEMCVERKSISDLIGSLNNGRLYSQCISMSRYYKRPVLLIEFDPSKPFSLTSRGALFQEISSNDISSKLTLLTLHFPRLRILWCPSPHATAELFEELKQSKPQPDAATALAITADSETLPESEKYNPGPQDFLLKMPGVNAKNCRSLMHHVKNIAELAALSQDELTSILGNAANAKQLYDFIHTSFAEVVSKGKGKK
  
Inhibitor
Name:
BDBM50555906
Synonyms:
CHEMBL4759590
Type:
Small organic molecule
Emp. Form.:
C28H32ClN5O2
Mol. Mass.:
506.039
SMILES:
CN(C)CCN1CCN(Cc2cc(Nc3c4ccc(Cl)cc4nc4ccc(O)cc34)ccc2O)CC1
Structure:
Search PDB for entries with ligand similarity: