Browse entries in the PDBbind-CN Database

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Related entries of code: 3e7o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3npcRCSB PDB    PDBbind364aa, >3NPC_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3e7o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 9
Ligand Name35F
EC.Number E.C.2.7.11.24
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)IC50=120nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Mol.Biol. Vol. 383: pp. 885-893
Ligand Properties
Formula C20H14N6O2
Molecular Weight 370.364
Exact Mass 370.118
No. of atoms 42
No. of bonds 46
Polar Surface Area 112.49
LOGP Value 3.17      (Computed with XLOGP3)
3.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): P45984  
Entrez Gene IDNCBI Entrez Gene ID: 5601  
ASDInformation of known allosteric effects of PDB entries

 
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