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Related entries of code: 4hw3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wixRCSB PDB    PDBbind161aa, >3WIX:D|PDBID|CHAIN|... at 90%
3wiyRCSB PDB    PDBbind161aa, >3WIY:F|PDBID|CHAIN|... at 90%
4hw2RCSB PDB    PDBbind153aa, >4HW2:F|PDBID|CHAIN|... at 96%
4oq6RCSB PDB    PDBbind157aa, >4OQ6:B|PDBID|CHAIN|... at 92%
4wgiRCSB PDB    PDBbind518aa, >4WGI:A|PDBID|CHAIN|... *
4wmuRCSB PDB    PDBbind518aa, >4WMU:A|PDBID|CHAIN|... at 100%
4wmvRCSB PDB    PDBbind518aa, >4WMV:A|PDBID|CHAIN|... at 100%
4wmxRCSB PDB    PDBbind518aa, >4WMX:A|PDBID|CHAIN|... at 100%
4zbfRCSB PDB    PDBbind157aa, >4ZBF:L|PDBID|CHAIN|... at 93%
4zbiRCSB PDB    PDBbind157aa, >4ZBI:L|PDBID|CHAIN|... at 93%
5fdoRCSB PDB    PDBbind150aa, >5FDO:D|PDBID|CHAIN|... at 97%
5fdrRCSB PDB    PDBbind158aa, >5FDR:D|PDBID|CHAIN|... at 92%
5iezRCSB PDB    PDBbind159aa, >5IEZ:D|PDBID|CHAIN|... at 91%
5if4RCSB PDB    PDBbind159aa, >5IF4:B|PDBID|CHAIN|... at 91%
5vkcRCSB PDB    PDBbind157aa, >5VKC:B|PDBID|CHAIN|... at 92%
6b4lRCSB PDB    PDBbind157aa, >6B4L:B|PDBID|CHAIN|... at 92%
6b4uRCSB PDB    PDBbind157aa, >6B4U:A|PDBID|CHAIN|... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4hw3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameInduced myeloid leukemia cell differentiation protein Mcl-1
Ligand Name19G
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.32uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) J.Med.Chem. Vol. 56: pp. 15-30
Ligand Properties
Formula C20H19ClO3S
Molecular Weight 374.881
Exact Mass 374.074
No. of atoms 44
No. of bonds 46
Polar Surface Area 74.77
LOGP Value 7.23      (Computed with XLOGP3)
5.88      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
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): Q07820  
Entrez Gene IDNCBI Entrez Gene ID: 4170  
ASDInformation of known allosteric effects of PDB entries

 
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