Browse entries in the PDBbind-CN Database

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Related entries of code: 3rcd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3pp0RCSB PDB    PDBbind338aa, >3PP0_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pozRCSB PDB    PDBbind03P
3w2oRCSB PDB    PDBbind03P

Entry Information
PDB ID3rcd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReceptor tyrosine-protein kinase erbB-2
Ligand Name03P
EC.Number E.C.2.7.10.1
Resolution 3.21(Å)
Affinity (Kd/Ki/IC50)IC50=17nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 8030-8050
Ligand Properties
Formula C26H25ClF3N5O3
Molecular Weight 547.957
Exact Mass 547.160
No. of atoms 63
No. of bonds 66
Polar Surface Area 101.3
LOGP Value 4.40      (Computed with XLOGP3)
6.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
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): P04626  
Entrez Gene IDNCBI Entrez Gene ID: 2064  
ASDInformation of known allosteric effects of PDB entries

 
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