Reaction Details Report a problem with these data
Target
DNA repair endonuclease XPF
Ligand
BDBM81244
Substrate
n/a
Meas. Tech.
ChEMBL_2054160 (CHEMBL4709161)
IC50
1860±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:
BDBM81244
Synonyms:
4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol | 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]phenol | 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazino)methyl]phenol | 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol | MLS002701988 | SMR001565565 | cid_421105
Type:
Small organic molecule
Emp. Form.:
C26H27ClN4O2
Mol. Mass.:
462.971
SMILES:
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1
Structure:
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