Browse entries in the PDBbind-CN Database

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Related entries of code: 2ica
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cqpRCSB PDB    PDBbind182aa, >1CQP_1|Chains... at 99%
1mq8RCSB PDB    PDBbind177aa, >1MQ8_2|Chains... at 98%
1rd4RCSB PDB    PDBbind191aa, >1RD4_1|Chains... *
1xddRCSB PDB    PDBbind188aa, >1XDD_1|Chains... at 97%
1xdgRCSB PDB    PDBbind188aa, >1XDG_1|Chains... at 97%
1xuoRCSB PDB    PDBbind188aa, >1XUO_1|Chains... at 97%
2o7nRCSB PDB    PDBbind183aa, >2O7N_1|Chain... at 97%
3bn3RCSB PDB    PDBbind180aa, >3BN3_1|Chain... at 97%
3bqnRCSB PDB    PDBbind182aa, >3BQN_1|Chains... at 99%
3e2mRCSB PDB    PDBbind185aa, >3E2M_1|Chains... at 98%
3eoaRCSB PDB    PDBbind181aa, >3EOA_3|Chains... at 100%
3eobRCSB PDB    PDBbind181aa, >3EOB_3|Chains... at 100%
3f78RCSB PDB    PDBbind181aa, >3F78_1|Chains... at 98%
3hi6RCSB PDB    PDBbind180aa, >3HI6_1|Chains... at 98%
3m6fRCSB PDB    PDBbind183aa, >3M6F_1|Chain... 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 ID2ica
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameintegrin alpha-l
Ligand Name2IC
EC.Number E.C.-.-.-.-
Resolution 1.56(Å)
Affinity (Kd/Ki/IC50)IC50=20nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v49 pp. 6946-9, 2006
Ligand Properties
Formula C26H21Cl2N4O4S
Molecular Weight 556.440
Exact Mass 555.066
No. of atoms 58
No. of bonds 62
Polar Surface Area 134.39
LOGP Value 2.81      (Computed with XLOGP3)
5.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): P20701  
Entrez Gene IDNCBI Entrez Gene ID: 3683  
ASDInformation of known allosteric effects of PDB entries
 
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