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Related entries of code: 4umq
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%
4d2vRCSB PDB    PDBbind356aa, >4D2V_1|Chains... at 100%
4d2wRCSB PDB    PDBbind356aa, >4D2W_1|Chains... at 100%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4umq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namematernal embryonic leucine zipper kinase (MELK)
Ligand NameB5S
EC.Number E.C.2.7.11.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=4.2uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Med.Chem.Lett. Vol. 6, pp: 25-30
Ligand Properties
Formula C23H26N3O4
Molecular Weight 408.470
Exact Mass 408.192
No. of atoms 56
No. of bonds 58
Polar Surface Area 107.46
LOGP Value 3.30      (Computed with XLOGP3)
3.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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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