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Related entries of code: 1c4y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ba8RCSB PDB    PDBbind14aa, >1BA8:C|PDBID|CHAIN|... *
1bb0RCSB PDB    PDBbind14aa, >1BB0:C|PDBID|CHAIN|... at 92%
1c4uRCSB PDB    PDBbind14aa, >1C4U:3|PDBID|CHAIN|... at 100%
1ca8RCSB PDB    PDBbind14aa, >1CA8:C|PDBID|CHAIN|... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1c4y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin short chain
Ligand NameIH3
EC.Number E.C.
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Ki=12nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary ReferenceActa Crystallogr., Sect.D v56 pp. 294-303, 2000
Ligand Properties
Formula C31H35N7O3
Molecular Weight 553.655
Exact Mass 553.280
No. of atoms 76
No. of bonds 81
Polar Surface Area 132.73
LOGP Value 3.44      (Computed with XLOGP3)
4.26      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 6
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

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