Browse entries in the PDBbind-CN Database

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Related entries of code: 4bcj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3blhRCSB PDB    PDBbind331aa, >3BLH_1|Chain... at 99%
3blrRCSB PDB    PDBbind331aa, >3BLR_1|Chain... at 99%
3lq5RCSB PDB    PDBbind331aa, >3LQ5_1|Chain... at 99%
3my1RCSB PDB    PDBbind331aa, >3MY1_1|Chain... at 99%
3tn8RCSB PDB    PDBbind331aa, >3TN8_1|Chain... at 99%
3tnhRCSB PDB    PDBbind331aa, >3TNH_1|Chain... at 99%
4bcfRCSB PDB    PDBbind331aa, >4BCF_1|Chain... at 99%
4bcgRCSB PDB    PDBbind331aa, >4BCG_1|Chain... at 99%
4bchRCSB PDB    PDBbind331aa, >4BCH_1|Chain... at 99%
4bciRCSB PDB    PDBbind331aa, >4BCI_1|Chain... at 99%
6gzhRCSB PDB    PDBbind326aa, >6GZH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4bcnRCSB PDB    PDBbindT9N
Entry Information
PDB ID4bcj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCYCLIN-DEPENDENT KINASE 9
Ligand NameT9N
EC.Number E.C.2.7.11.22
Resolution 3.16(Å)
Affinity (Kd/Ki/IC50)Ki=11nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 660
Ligand Properties
Formula C16H14N6OS
Molecular Weight 338.387
Exact Mass 338.095
No. of atoms 38
No. of bonds 40
Polar Surface Area 134.99
LOGP Value 2.89      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): O60563  P50750  
Entrez Gene IDNCBI Entrez Gene ID: 904  1025  
ASDInformation of known allosteric effects of PDB entries
 
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