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Related entries of code: 1ql9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1braRCSB PDB    PDBbind223aa, >1bra_A... at 98%
1j14RCSB PDB    PDBbind223aa, >1j14_A... at 98%
1j15RCSB PDB    PDBbind223aa, >1j15_A... at 96%
1j16RCSB PDB    PDBbind223aa, >1j16_A... at 96%
1j17RCSB PDB    PDBbind223aa, >1j17_T... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1j17RCSB PDB    PDBbindZEN
1ql7RCSB PDB    PDBbindZEN
1v2kRCSB PDB    PDBbindZEN

Entry Information
PDB ID1ql9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametrypsin
Ligand NameZEN
EC.Number E.C.3.4.21.4
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=4.45uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Mol.Biol.v325;pp.963
Ligand Properties
Formula C25H27ClN4O3S
Molecular Weight 499.025
Exact Mass 498.149
No. of atoms 61
No. of bonds 65
Polar Surface Area 82.2
LOGP Value 3.42      (Computed with XLOGP3)
4.66      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P00763  
Entrez Gene IDNCBI Entrez Gene ID: 25052  
ASDInformation of known allosteric effects of PDB entries

 
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