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Related entries of code: 1ysi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ysgRCSB PDB    PDBbind181aa, >1YSG:A|PDBID|CHAIN|... at 97%
2yxjRCSB PDB    PDBbind181aa, >2YXJ:B|PDBID|CHAIN|... at 97%
3qkdRCSB PDB    PDBbind181aa, >3QKD:B|PDBID|CHAIN|... at 97%
3spfRCSB PDB    PDBbind172aa, >3SPF:A|PDBID|CHAIN|... at 98%
4c52RCSB PDB    PDBbind158aa, >4C52:B|PDBID|CHAIN|... at 95%
3wizRCSB PDB    PDBbind177aa, >3WIZ:B|PDBID|CHAIN|... at 100%
3zk6RCSB PDB    PDBbind181aa, >3ZK6:B|PDBID|CHAIN|... at 95%
3zlnRCSB PDB    PDBbind181aa, >3ZLN:A|PDBID|CHAIN|... at 97%
3zloRCSB PDB    PDBbind181aa, >3ZLO:A|PDBID|CHAIN|... at 97%
3zlrRCSB PDB    PDBbind158aa, >3ZLR:B|PDBID|CHAIN|... at 95%
4c5dRCSB PDB    PDBbind158aa, >4C5D:B|PDBID|CHAIN|... at 95%
4ehrRCSB PDB    PDBbind172aa, >4EHR:A|PDBID|CHAIN|... at 98%
4qvxRCSB PDB    PDBbind167aa, >4QVX:B|PDBID|CHAIN|... at 93%
4tuhRCSB PDB    PDBbind158aa, >4TUH:H|PDBID|CHAIN|... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1ysi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman anti-apoptotic protein Bcl-xL
Ligand NameN3B
EC.Number E.C.-.-.-.-
Resolution NMR
Affinity (Kd/Ki/IC50)Ki=0.036uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference(2006) J. Med. Chem., Vol.49, pp.1165-1181
Ligand Properties
Formula C27H22FN3O5S2
Molecular Weight 551.609
Exact Mass 551.098
No. of atoms 60
No. of bonds 63
Polar Surface Area 154.77
LOGP Value 6.62      (Computed with XLOGP3)
7.79      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
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): Q07817  
Entrez Gene IDNCBI Entrez Gene ID: 598  
ASDInformation of known allosteric effects of PDB entries

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