Browse entries in the PDBbind-CN Database

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Related entries of code: 1nqc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ms6RCSB PDB    PDBbind222aa, >1MS6_1|Chain... at 99%
1npzRCSB PDB    PDBbind217aa, >1NPZ_1|Chains... at 99%
2f1gRCSB PDB    PDBbind220aa, >2F1G_1|Chains... at 100%
2hh5RCSB PDB    PDBbind220aa, >2HH5_1|Chains... at 100%
2hhnRCSB PDB    PDBbind220aa, >2HHN_1|Chains... at 100%
2op3RCSB PDB    PDBbind220aa, >2OP3_1|Chains... at 100%
2r9mRCSB PDB    PDBbind222aa, >2R9M_1|Chains... at 99%
3iejRCSB PDB    PDBbind222aa, >3IEJ_1|Chains... at 97%
3n3gRCSB PDB    PDBbind217aa, >3N3G_1|Chains... at 100%
3n4cRCSB PDB    PDBbind217aa, >3N4C_1|Chains... at 100%
3ovxRCSB PDB    PDBbind218aa, >3OVX_1|Chains... at 100%
4p6eRCSB PDB    PDBbind230aa, >4P6E_1|Chains... *
4p6gRCSB PDB    PDBbind226aa, >4P6G_1|Chains... at 99%
5qbvRCSB PDB    PDBbind223aa, >5QBV_1|Chains... at 97%
5qbyRCSB PDB    PDBbind223aa, >5QBY_1|Chains... at 97%
5qc4RCSB PDB    PDBbind223aa, >5QC4_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1nqc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecathepsin s
Ligand NameC4P
EC.Number E.C.3.4.22.27
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=50nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 3203-13, 2003
Ligand Properties
Formula C24H29N3O4S
Molecular Weight 455.570
Exact Mass 455.188
No. of atoms 61
No. of bonds 63
Polar Surface Area 113.04
LOGP Value 2.22      (Computed with XLOGP3)
2.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 7
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): P25774  
Entrez Gene IDNCBI Entrez Gene ID: 1520  
ASDInformation of known allosteric effects of PDB entries
 
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