Reaction Details Report a problem with these data
Target
DNA repair protein complementing XP-A cells
Ligand
BDBM50241683
Substrate
n/a
Meas. Tech.
ChEMBL_1670186 (CHEMBL4020074)
IC50
9600±n/a nM
Citation
 Gavande, NS; VanderVere-Carozza, P; Mishra, AK; Vernon, TL; Pawelczak, KS; Turchi, JJ Design and Structure-Guided Development of Novel Inhibitors of the Xeroderma Pigmentosum Group A (XPA) Protein-DNA Interaction. J Med Chem 60:8055-8070 (2017) [PubMed]  Article 
Target
Name:
DNA repair protein complementing XP-A cells
Synonyms:
DNA repair protein complementing XP-A cells | XPA | XPAC | XPA_HUMAN | Xeroderma pigmentosum group A-complementing protein
Type:
PROTEIN
Mol. Mass.:
31368.63
Organism:
Human
Description:
ChEMBL_117406
Residue:
273
Sequence:
MAAADGALPEAAALEQPAELPASVRASIERKRQRALMLRQARLAARPYSATAAAATGGMANVKAAPKIIDTGGGFILEEEEEEEQKIGKVVHQPGPVMEFDYVICEECGKEFMDSYLMNHFDLPTCDNCRDADDKHKLITKTEAKQEYLLKDCDLEKREPPLKFIVKKNPHHSQWGDMKLYLKLQIVKRSLEVWGSQEALEEAKEVRQENREKMKQKKFDKKVKELRRAVRSSVWKRETIVHQHEYGPEENLEDDMYRKTCTMCGHELTYEKM
  
Inhibitor
Name:
BDBM50241683
Synonyms:
CHEMBL4059855
Type:
Small organic molecule
Emp. Form.:
C27H22Cl2N2O6
Mol. Mass.:
541.379
SMILES:
CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1 |c:22|
Structure:
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