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Related entries of code: 1h4w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5tp0RCSB PDB    PDBbind224aa, >5TP0:A|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1braRCSB PDB    PDBbindBEN
1btyRCSB PDB    PDBbindBEN
1ce5RCSB PDB    PDBbindBEN
1j14RCSB PDB    PDBbindBEN
1j15RCSB PDB    PDBbindBEN
1j16RCSB PDB    PDBbindBEN
1ossRCSB PDB    PDBbindBEN
1rtfRCSB PDB    PDBbindBEN
1v2jRCSB PDB    PDBbindBEN
1v2lRCSB PDB    PDBbindBEN
1v2mRCSB PDB    PDBbindBEN
1v2sRCSB PDB    PDBbindBEN
1v2uRCSB PDB    PDBbindBEN
1v2vRCSB PDB    PDBbindBEN
2bmvRCSB PDB    PDBbindBEN
2j9nRCSB PDB    PDBbindBEN
3atlRCSB PDB    PDBbindBEN
3gy7RCSB PDB    PDBbindBEN
3rxeRCSB PDB    PDBbindBEN

Entry Information
PDB ID1h4w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametrypsin beta
Ligand NameBEN
EC.Number E.C.3.4.21.4
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=22uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v315 pp. 1209-18, 2002
Ligand Properties
Formula C7H9N2
Molecular Weight 121.160
Exact Mass 121.077
No. of atoms 18
No. of bonds 18
Polar Surface Area 51.61
LOGP Value 2.51      (Computed with XLOGP3)
-0.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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): P35030  
Entrez Gene IDNCBI Entrez Gene ID: 5646  
ASDInformation of known allosteric effects of PDB entries

 
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