Browse entries in the PDBbind-CN Database

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Related entries of code: 6iiv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6iiuRCSB PDB    PDBbind484aa, >6IIU_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6iiv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethromboxane A2 receptor
Ligand NameA90
EC.Number E.C.-.-.-.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Ki=140nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nat. Chem. Biol. Vol. 15: pp. 27-33
Ligand Properties
Formula C16H16ClNO4S
Molecular Weight 353.821
Exact Mass 353.049
No. of atoms 39
No. of bonds 40
Polar Surface Area 91.85
LOGP Value 4.38      (Computed with XLOGP3)
3.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
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): P00268  P0ABE7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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