Browse entries in the PDBbind-CN Database

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Related entries of code: 2yac
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ou7RCSB PDB    PDBbind335aa, >2OU7_1|Chain... at 99%
2owbRCSB PDB    PDBbind335aa, >2OWB_1|Chain... at 99%
2rkuRCSB PDB    PDBbind294aa, >2RKU_1|Chain... at 100%
3fc2RCSB PDB    PDBbind335aa, >3FC2_1|Chain... at 99%
3kb7RCSB PDB    PDBbind311aa, >3KB7_1|Chain... at 99%
3thbRCSB PDB    PDBbind333aa, >3THB_1|Chain... at 100%
4a4lRCSB PDB    PDBbind311aa, >4A4L_1|Chain... at 99%
4a4oRCSB PDB    PDBbind311aa, >4A4O_1|Chain... at 99%
4j52RCSB PDB    PDBbind293aa, >4J52_1|Chain... at 100%
4j53RCSB PDB    PDBbind293aa, >4J53_1|Chain... at 100%
5ta6RCSB PDB    PDBbind358aa, >5TA6_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 ID2yac
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand Name937
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.002uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 2969-2974
Ligand Properties
Formula C24H26F3N8O3
Molecular Weight 531.510
Exact Mass 531.208
No. of atoms 64
No. of bonds 68
Polar Surface Area 135.86
LOGP Value 2.64      (Computed with XLOGP3)
3.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): P53350  
Entrez Gene IDNCBI Entrez Gene ID: 5347  
ASDInformation of known allosteric effects of PDB entries

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