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Related entries of code: 4f1l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4f1qRCSB PDB    PDBbind193aa, >4F1Q_1|Chains... at 98%
4py4RCSB PDB    PDBbind189aa, >4PY4_1|Chains... at 100%
5lxpRCSB PDB    PDBbind193aa, >5LXP_1|Chains... at 98%
5lyhRCSB PDB    PDBbind193aa, >5LYH_1|Chains... at 98%
5nqeRCSB PDB    PDBbind193aa, >5NQE_1|Chains... at 98%
5v7tRCSB PDB    PDBbind194aa, >5V7T_1|Chain... *
5v7wRCSB PDB    PDBbind194aa, >5V7W_1|Chains... at 100%
6g0wRCSB PDB    PDBbind193aa, >6G0W_1|Chains... at 98%
6fzmRCSB PDB    PDBbind193aa, >6FZM_1|Chains... at 98%
6fymRCSB PDB    PDBbind193aa, >6FYM_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4f1l
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePoly [ADP-ribose] polymerase 14
Ligand Name0RY
EC.Number E.C.2.4.2.30
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=7.6uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 7706-7718
Ligand Properties
Formula C11H10N2O4
Molecular Weight 234.208
Exact Mass 234.064
No. of atoms 27
No. of bonds 27
Polar Surface Area 109.49
LOGP Value 1.04      (Computed with XLOGP3)
1.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): Q460N5  
Entrez Gene IDNCBI Entrez Gene ID: 54625  
ASDInformation of known allosteric effects of PDB entries
 
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