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Related entries of code: 5vcv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5vcwRCSB PDB    PDBbind311aa, >5VCW_1|Chains... at 100%
5vcxRCSB PDB    PDBbind311aa, >5VCX_1|Chain... at 100%
5vcyRCSB PDB    PDBbind311aa, >5VCY_1|Chain... at 100%
5vczRCSB PDB    PDBbind311aa, >5VCZ_1|Chain... at 100%
5vd0RCSB PDB    PDBbind311aa, >5VD0_1|Chain... at 100%
5vd1RCSB PDB    PDBbind311aa, >5VD1_1|Chain... at 100%
5vd3RCSB PDB    PDBbind311aa, >5VD3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2y6oRCSB PDB    PDBbind1N1
2zvaRCSB PDB    PDBbind1N1
3g5dRCSB PDB    PDBbind1N1
3k54RCSB PDB    PDBbind1N1
3octRCSB PDB    PDBbind1N1
4qmsRCSB PDB    PDBbind1N1
5bvwRCSB PDB    PDBbind1N1
5h2uRCSB PDB    PDBbind1N1
5i9yRCSB PDB    PDBbind1N1

Entry Information
PDB ID5vcv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand Name1N1
EC.Number E.C.-.-.-.-
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)Kd=150nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 7863-7875
Ligand Properties
Formula C22H27ClN7O2S
Molecular Weight 489.013
Exact Mass 488.164
No. of atoms 60
No. of bonds 63
Polar Surface Area 135.95
LOGP Value 3.59      (Computed with XLOGP3)
3.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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): Q99640  
Entrez Gene IDNCBI Entrez Gene ID: 9088  
ASDInformation of known allosteric effects of PDB entries

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