Browse entries in the PDBbind-CN Database

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Related entries of code: 6i8t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1efyRCSB PDB    PDBbind350aa, >1EFY_1|Chain... at 100%
2paxRCSB PDB    PDBbind361aa, >2PAX_1|Chain... at 99%
3paxRCSB PDB    PDBbind361aa, >3PAX_1|Chain... at 99%
4paxRCSB PDB    PDBbind361aa, >4PAX_1|Chain... at 99%
6i8mRCSB PDB    PDBbind363aa, >6I8M_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6i8t
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePARP-1
Ligand NameH7Z
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=1.76uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 534-538
Ligand Properties
Formula C21H30N3O2
Molecular Weight 356.482
Exact Mass 356.234
No. of atoms 56
No. of bonds 59
Polar Surface Area 67.84
LOGP Value 2.63      (Computed with XLOGP3)
3.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): P26446  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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