Browse entries in the PDBbind-CN Database

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Related entries of code: 3zbf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4uxlRCSB PDB    PDBbind322aa, >4UXL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2wgjRCSB PDB    PDBbindVGH
2xp2RCSB PDB    PDBbindVGH
2yfxRCSB PDB    PDBbindVGH
4anqRCSB PDB    PDBbindVGH
4c9wRCSB PDB    PDBbindVGH
5aaaRCSB PDB    PDBbindVGH
5aabRCSB PDB    PDBbindVGH
5aacRCSB PDB    PDBbindVGH

Entry Information
PDB ID3zbf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
Ligand NameVGH
EC.Number E.C.2.7.10.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=30nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) N.Engl.J.Med. Vol. 368: pp. 2395
Ligand Properties
Formula C21H23Cl2FN5O
Molecular Weight 451.345
Exact Mass 450.126
No. of atoms 53
No. of bonds 56
Polar Surface Area 82.57
LOGP Value 3.69      (Computed with XLOGP3)
6.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P08922  
Entrez Gene IDNCBI Entrez Gene ID: 6098  
ASDInformation of known allosteric effects of PDB entries

 
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