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Related entries of code: 4i1r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6h4aRCSB PDB    PDBbind404aa, >6H4A_1|Chain... at 100%
6f7iRCSB PDB    PDBbind404aa, >6F7I_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4i1r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMucosa-associated lymphoid tissue lymphoma translocation protein 1
Ligand NameLZU
EC.Number E.C.3.4.22
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=22.6uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Angew.Chem.Int.Ed.Engl. Vol. 52: pp. 10384-10387
Ligand Properties
Formula C21H27N2S2
Molecular Weight 371.582
Exact Mass 371.162
No. of atoms 52
No. of bonds 55
Polar Surface Area 58.28
LOGP Value 5.57      (Computed with XLOGP3)
6.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
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): Q9UDY8  
Entrez Gene IDNCBI Entrez Gene ID: 10892  
ASDInformation of known allosteric effects of PDB entries

 
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