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Related entries of code: 2w9h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3fl9RCSB PDB    PDBbindTOP
3n0hRCSB PDB    PDBbindTOP
3s3vRCSB PDB    PDBbindTOP
4km2RCSB PDB    PDBbindTOP

Entry Information
PDB ID2w9h
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDihydrofolate reductase (DHFR)
Ligand NameTOP
EC.Number E.C.1.5.1.3
Resolution 1.48(Å)
Affinity (Kd/Ki/IC50)Kd=430nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Proteins
Ligand Properties
Formula C14H18N4O3
Molecular Weight 290.318
Exact Mass 290.138
No. of atoms 39
No. of bonds 40
Polar Surface Area 105.51
LOGP Value 1.34      (Computed with XLOGP3)
2.42      (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: 7
No. of Rings: 2
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): P0A017  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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