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Related entries of code: 4ht2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jd0RCSB PDB    PDBbind263aa, >1JD0:B|PDBID|CHAIN|... at 100%
4kp5RCSB PDB    PDBbind263aa, >4KP5:D|PDBID|CHAIN|... at 99%
4kp8RCSB PDB    PDBbind263aa, >4KP8:D|PDBID|CHAIN|... at 99%
4q0lRCSB PDB    PDBbind263aa, >4Q0L:D|PDBID|CHAIN|... at 99%
4qj0RCSB PDB    PDBbind263aa, >4QJ0:D|PDBID|CHAIN|... at 99%
4qjoRCSB PDB    PDBbind263aa, >4QJO:D|PDBID|CHAIN|... at 99%
4qjwRCSB PDB    PDBbind263aa, >4QJW:D|PDBID|CHAIN|... at 99%
4ww8RCSB PDB    PDBbind263aa, >4WW8:D|PDBID|CHAIN|... at 99%
5ll5RCSB PDB    PDBbind263aa, >5LL5:D|PDBID|CHAIN|... at 99%
5ll9RCSB PDB    PDBbind263aa, >5LL9:D|PDBID|CHAIN|... at 99%
5lloRCSB PDB    PDBbind263aa, >5LLO:D|PDBID|CHAIN|... at 99%
5llpRCSB PDB    PDBbind263aa, >5LLP:D|PDBID|CHAIN|... at 99%
5msbRCSB PDB    PDBbind263aa, >5MSB:D|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ht0RCSB PDB    PDBbindV50

Entry Information
PDB ID4ht2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 12
Ligand NameV50
EC.Number E.C.4.2.1.1
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Kd=290nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem. Vol. 21: pp. 2093-2106
Ligand Properties
Formula C12H9F4N3O2S2
Molecular Weight 367.342
Exact Mass 367.007
No. of atoms 32
No. of bonds 33
Polar Surface Area 119.62
LOGP Value 2.37      (Computed with XLOGP3)
4.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): O43570  
Entrez Gene IDNCBI Entrez Gene ID: 771  
ASDInformation of known allosteric effects of PDB entries

 
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