Browse entries in the PDBbind-CN Database

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Related entries of code: 3tnh
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%
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%
4bcjRCSB PDB    PDBbind331aa, >4BCJ_1|Chain... at 99%
6gzhRCSB PDB    PDBbind326aa, >6GZH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2clxRCSB PDB    PDBbindF18
3tn8RCSB PDB    PDBbindF18

Entry Information
PDB ID3tnh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman CDK9/cyclin T1
Ligand NameF18
EC.Number E.C.
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.35uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Eur. J. Med. Chem., Vol.46, pp.4289-4294
Ligand Properties
Formula C9H10N6O
Molecular Weight 218.215
Exact Mass 218.092
No. of atoms 26
No. of bonds 27
Polar Surface Area 125.67
LOGP Value 0.94      (Computed with XLOGP3)
2.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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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