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Related entries of code: 2p4i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oo8RCSB PDB    PDBbind317aa, >2OO8_1|Chain... at 99%
2oscRCSB PDB    PDBbind317aa, >2OSC_1|Chain... at 99%
2wqbRCSB PDB    PDBbind324aa, >2WQB_1|Chain... *
6mweRCSB PDB    PDBbind317aa, >6MWE_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2p4i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAngiopoietin-1 receptor
Ligand NameMR9
EC.Number E.C.2.7.10.1
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=10nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. 50: 611-626
Ligand Properties
Formula C29H27F3N6O3
Molecular Weight 564.558
Exact Mass 564.210
No. of atoms 68
No. of bonds 72
Polar Surface Area 101.5
LOGP Value 4.81      (Computed with XLOGP3)
6.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): Q02763  
Entrez Gene IDNCBI Entrez Gene ID: 7010  
ASDInformation of known allosteric effects of PDB entries
 
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