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Related entries of code: 4d2v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bkyRCSB PDB    PDBbind347aa, >4BKY_1|Chain... at 94%
4bkzRCSB PDB    PDBbind347aa, >4BKZ_1|Chain... at 94%
4cqgRCSB PDB    PDBbind331aa, >4CQG_1|Chain... at 90%
4d2pRCSB PDB    PDBbind356aa, >4D2P_1|Chains... *
4d2tRCSB PDB    PDBbind356aa, >4D2T_1|Chains... at 100%
4d2wRCSB PDB    PDBbind356aa, >4D2W_1|Chains... at 100%
4umqRCSB PDB    PDBbind356aa, >4UMQ_1|Chain... at 99%
4umrRCSB PDB    PDBbind356aa, >4UMR_1|Chain... at 99%
4umtRCSB PDB    PDBbind356aa, >4UMT_1|Chain... at 99%
4umuRCSB PDB    PDBbind356aa, >4UMU_1|Chain... at 99%
5ih8RCSB PDB    PDBbind335aa, >5IH8_1|Chain... at 95%
5ih9RCSB PDB    PDBbind335aa, >5IH9_1|Chain... at 95%
5ihaRCSB PDB    PDBbind335aa, >5IHA_1|Chain... at 95%
5ihcRCSB PDB    PDBbind335aa, >5IHC_1|Chain... at 95%
5k00RCSB PDB    PDBbind335aa, >5K00_1|Chain... at 95%
5twlRCSB PDB    PDBbind341aa, >5TWL_1|Chain... at 96%
5tx3RCSB PDB    PDBbind344aa, >5TX3_1|Chains... at 95%
6gvxRCSB PDB    PDBbind344aa, >6GVX_1|Chains... at 96%
5twzRCSB PDB    PDBbind341aa, >5TWZ_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5twzRCSB PDB    PDBbind45R
Entry Information
PDB ID4d2v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namematernal embryonic leucine zipper kinase (MELK)
Ligand Name45R
EC.Number E.C.2.7.11.1
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)IC50=0.037uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Med.Chem.Lett. Vol. 6, pp: 25-30
Ligand Properties
Formula C21H23N4O2
Molecular Weight 363.433
Exact Mass 363.182
No. of atoms 50
No. of bonds 53
Polar Surface Area 83.62
LOGP Value 2.51      (Computed with XLOGP3)
3.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q14680  
Entrez Gene IDNCBI Entrez Gene ID: 9833  
ASDInformation of known allosteric effects of PDB entries
 
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