Browse entries in the PDBbind-CN Database

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Related entries of code: 4oq5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ku9RCSB PDB    PDBbind162aa, >5KU9_1|Chains... at 90%
5mesRCSB PDB    PDBbind162aa, >5MES_1|Chain... at 90%
5mevRCSB PDB    PDBbind162aa, >5MEV_1|Chain... at 90%
6fs0RCSB PDB    PDBbind159aa, >6FS0_1|Chain... at 90%
6qzbRCSB PDB    PDBbind170aa, >6QZB_1|Chain... at 91%
6qz8RCSB PDB    PDBbind170aa, >6QZ8_1|Chain... at 91%
6qz6RCSB PDB    PDBbind170aa, >6QZ6_1|Chain... at 91%
6qz5RCSB PDB    PDBbind170aa, >6QZ5_1|Chain... at 91%
6qypRCSB PDB    PDBbind170aa, >6QYP_1|Chain... at 91%
6qfqRCSB PDB    PDBbind170aa, >6QFQ_1|Chain... at 91%
6qb6RCSB PDB    PDBbind162aa, >6QB6_1|Chain... at 90%
6qb3RCSB PDB    PDBbind162aa, >6QB3_1|Chain... at 90%
6ovcRCSB PDB    PDBbind164aa, >6OVC_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4oq5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInduced myeloid leukemia cell differentiation protein MCL-1
Ligand Name2UU
EC.Number E.C.-.-.-.-
Resolution 2.86(Å)
Affinity (Kd/Ki/IC50)IC50=0.5uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 1484-1488
Ligand Properties
Formula C30H23NO5S
Molecular Weight 509.572
Exact Mass 509.130
No. of atoms 60
No. of bonds 64
Polar Surface Area 101.08
LOGP Value 8.38      (Computed with XLOGP3)
8.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): Q07820  
Entrez Gene IDNCBI Entrez Gene ID: 4170  
ASDInformation of known allosteric effects of PDB entries
 
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