Reaction Details Report a problem with these data
Target
DNA excision repair protein ERCC-1/repair endonuclease XPF
Ligand
BDBM50504115
Substrate
n/a
Meas. Tech.
ChEMBL_1813582 (CHEMBL4313156)
Kd
100±n/a nM
Citation
 Elmenoufy, AH; Gentile, F; Jay, D; Karimi-Busheri, F; Yang, X; Soueidan, OM; Weilbeer, C; Mani, RS; Barakat, KH; Tuszynski, JA; Weinfeld, M; West, FG Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF. J Med Chem 62:7684-7696 (2019) [PubMed]  Article 
Target
Name:
DNA excision repair protein ERCC-1/repair endonuclease XPF
Synonyms:
DNA excision repair protein ERCC-1/DNA repair endonuclease XPF
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1813582
Components:
This complex has 2 components.
Component 1
Name:
DNA excision repair protein ERCC-1
Synonyms:
DNA excision repair protein ERCC-1 | ERCC1 | ERCC1_HUMAN
Type:
PROTEIN
Mol. Mass.:
32560.98
Organism:
Homo sapiens
Description:
ChEMBL_117029
Residue:
297
Sequence:
MDPGKDKEGVPQPSGPPARKKFVIPLDEDEVPPGVAKPLFRSTQSLPTVDTSAQAAPQTYAEYAISQPLEGAGATCPTGSEPLAGETPNQALKPGAKSNSIIVSPRQRGNPVLKFVRNVPWEFGDVIPDYVLGQSTCALFLSLRYHNLHPDYIHGRLQSLGKNFALRVLLVQVDVKDPQQALKELAKMCILADCTLILAWSPEEAGRYLETYKAYEQKPADLLMEKLEQDFVSRVTECLTTVKSVNKTDSQTLLTTFGSLEQLIAASREDLALCPGLGPQKARRLFDVLHEPFLKVP
  
Component 2
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:
BDBM50504115
Synonyms:
CHEMBL4470176
Type:
Small organic molecule
Emp. Form.:
C29H34ClN5O2
Mol. Mass.:
520.066
SMILES:
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1
Structure:
Search PDB for entries with ligand similarity: