Browse entries in the PDBbind-CN Database

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Related entries of code: 4qmx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4o27RCSB PDB    PDBbind281aa, >4O27_2|Chain... at 99%
4qmmRCSB PDB    PDBbind310aa, >4QMM_1|Chain... *
4qmnRCSB PDB    PDBbind310aa, >4QMN_1|Chain... at 100%
4qmoRCSB PDB    PDBbind310aa, >4QMO_1|Chain... at 100%
4qmpRCSB PDB    PDBbind310aa, >4QMP_1|Chain... at 100%
4qmqRCSB PDB    PDBbind310aa, >4QMQ_1|Chain... at 100%
4qmsRCSB PDB    PDBbind310aa, >4QMS_1|Chain... at 100%
4qmtRCSB PDB    PDBbind310aa, >4QMT_1|Chain... at 100%
4qmuRCSB PDB    PDBbind310aa, >4QMU_1|Chain... at 100%
4qmvRCSB PDB    PDBbind310aa, >4QMV_1|Chain... at 100%
4qmwRCSB PDB    PDBbind310aa, >4QMW_1|Chain... at 100%
4qmyRCSB PDB    PDBbind310aa, >4QMY_1|Chain... at 100%
4qmzRCSB PDB    PDBbind310aa, >4QMZ_1|Chain... at 100%
4qnaRCSB PDB    PDBbind310aa, >4QNA_1|Chain... at 100%
4qo9RCSB PDB    PDBbind310aa, >4QO9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2h8hRCSB PDB    PDBbindH8H
5vcxRCSB PDB    PDBbindH8H
5vd3RCSB PDB    PDBbindH8H

Entry Information
PDB ID4qmx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSterile20-like Kinase 3 (MST3)
Ligand NameH8H
EC.Number E.C.2.7.11.1
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50=11uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 1137-1144
Ligand Properties
Formula C27H34ClN5O5
Molecular Weight 544.042
Exact Mass 543.225
No. of atoms 72
No. of bonds 77
Polar Surface Area 92.84
LOGP Value 4.06      (Computed with XLOGP3)
4.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 6
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): Q9Y6E0  
Entrez Gene IDNCBI Entrez Gene ID: 8428  
ASDInformation of known allosteric effects of PDB entries

 
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