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Related entries of code: 1bzf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ao8RCSB PDB    PDBbind162aa, >1AO8_1|Chain... *
1disRCSB PDB    PDBbind162aa, >1DIS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1bzf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedihydrofolate reductase
Ligand NameTMQ
EC.Number E.C.1.5.1.3
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=5nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v8 pp. 467-81, 1999
Ligand Properties
Formula C19H23N5O3
Molecular Weight 369.418
Exact Mass 369.180
No. of atoms 50
No. of bonds 52
Polar Surface Area 117.54
LOGP Value 2.60      (Computed with XLOGP3)
3.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): P00381  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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