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Related entries of code: 4l7o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c49RCSB PDB    PDBbind357aa, >3C49_1|Chain... *
3c4hRCSB PDB    PDBbind357aa, >3C4H_1|Chain... at 100%
3ce0RCSB PDB    PDBbind357aa, >3CE0_1|Chain... at 100%
3fhbRCSB PDB    PDBbind357aa, >3FHB_1|Chain... at 100%
4l70RCSB PDB    PDBbind357aa, >4L70_1|Chain... at 100%
4l7lRCSB PDB    PDBbind357aa, >4L7L_1|Chain... at 100%
4l7nRCSB PDB    PDBbind357aa, >4L7N_1|Chain... at 100%
4l7rRCSB PDB    PDBbind357aa, >4L7R_1|Chain... at 100%
4l7uRCSB PDB    PDBbind357aa, >4L7U_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4l7o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman artd3 (parp3) - catalytic domain
Ligand Name1VD
EC.Number E.C.2.4.2.30
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=13.2uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 9556-9568
Ligand Properties
Formula C22H21N5O2
Molecular Weight 387.434
Exact Mass 387.170
No. of atoms 50
No. of bonds 53
Polar Surface Area 92.67
LOGP Value 1.52      (Computed with XLOGP3)
3.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9Y6F1  
Entrez Gene IDNCBI Entrez Gene ID: 10039  
ASDInformation of known allosteric effects of PDB entries
 
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