Browse entries in the PDBbind-CN Database

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Related entries of code: 5qik
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1py5RCSB PDB    PDBbind326aa, >1PY5_1|Chain... at 100%
1rw8RCSB PDB    PDBbind301aa, >1RW8_1|Chain... at 100%
1vjyRCSB PDB    PDBbind303aa, >1VJY_1|Chain... at 100%
2wotRCSB PDB    PDBbind306aa, >2WOT_1|Chain... at 99%
2wouRCSB PDB    PDBbind306aa, >2WOU_1|Chain... at 99%
2x7oRCSB PDB    PDBbind342aa, >2X7O_1|Chains... at 100%
3faaRCSB PDB    PDBbind342aa, >3FAA_1|Chains... at 100%
3gxlRCSB PDB    PDBbind303aa, >3GXL_1|Chain... at 100%
3hmmRCSB PDB    PDBbind303aa, >3HMM_1|Chain... at 100%
3kcfRCSB PDB    PDBbind342aa, >3KCF_1|Chains... at 100%
3tzmRCSB PDB    PDBbind309aa, >3TZM_1|Chain... at 98%
5e8wRCSB PDB    PDBbind307aa, >5E8W_1|Chain... at 98%
5e8zRCSB PDB    PDBbind307aa, >5E8Z_1|Chain... at 98%
5e90RCSB PDB    PDBbind307aa, >5E90_1|Chain... at 96%
5qilRCSB PDB    PDBbind307aa, >5QIL_1|Chain... at 98%
5qimRCSB PDB    PDBbind306aa, >5QIM_1|Chain... at 99%
5usqRCSB PDB    PDBbind299aa, >5USQ_1|Chain... at 100%
6b8yRCSB PDB    PDBbind307aa, >6B8Y_1|Chain... 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 ID5qik
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTGF-beta receptor type-1
Ligand NameJ2M
EC.Number E.C.2.7.11.30
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)IC50=22nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Med Chem Lett Vol. 9: pp. 1117-1122
Ligand Properties
Formula C19H16FN5O2
Molecular Weight 365.361
Exact Mass 365.129
No. of atoms 43
No. of bonds 46
Polar Surface Area 99.77
LOGP Value 1.15      (Computed with XLOGP3)
2.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
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): P36897  
Entrez Gene IDNCBI Entrez Gene ID: 7046  
ASDInformation of known allosteric effects of PDB entries
 
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