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Related entries of code: 4li8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uddRCSB PDB    PDBbind224aa, >3UDD_1|Chains... at 98%
3uh2RCSB PDB    PDBbind224aa, >3UH2_1|Chains... at 98%
3uh4RCSB PDB    PDBbind224aa, >3UH4_1|Chains... at 98%
4dviRCSB PDB    PDBbind217aa, >4DVI_1|Chains... at 96%
4i9iRCSB PDB    PDBbind217aa, >4I9I_1|Chains... at 96%
4k4eRCSB PDB    PDBbind217aa, >4K4E_1|Chains... at 96%
4k4fRCSB PDB    PDBbind217aa, >4K4F_1|Chains... at 96%
4krsRCSB PDB    PDBbind223aa, >4KRS_1|Chains... at 99%
4li6RCSB PDB    PDBbind224aa, >4LI6_1|Chains... at 98%
4li7RCSB PDB    PDBbind224aa, >4LI7_1|Chains... at 98%
4msgRCSB PDB    PDBbind217aa, >4MSG_1|Chains... at 96%
4mskRCSB PDB    PDBbind217aa, >4MSK_1|Chains... at 96%
4mt9RCSB PDB    PDBbind217aa, >4MT9_1|Chains... at 96%
4n3rRCSB PDB    PDBbind217aa, >4N3R_1|Chains... at 96%
4n4tRCSB PDB    PDBbind217aa, >4N4T_1|Chains... at 96%
4n4vRCSB PDB    PDBbind217aa, >4N4V_1|Chains... at 96%
4uuhRCSB PDB    PDBbind258aa, >4UUH_1|Chain... *
4uw1RCSB PDB    PDBbind258aa, >4UW1_1|Chains... at 100%
5eceRCSB PDB    PDBbind213aa, >5ECE_1|Chains... at 99%
5etyRCSB PDB    PDBbind257aa, >5ETY_1|Chains... at 100%
6qxuRCSB PDB    PDBbind211aa, >6QXU_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4li8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTankyrase-1
Ligand Name1XQ
EC.Number E.C.2.4.2.30
Resolution 2.52(Å)
Affinity (Kd/Ki/IC50)IC50=7.5nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 6495-6511
Ligand Properties
Formula C27H30FN4O4S
Molecular Weight 525.615
Exact Mass 525.197
No. of atoms 67
No. of bonds 71
Polar Surface Area 125.04
LOGP Value 1.72      (Computed with XLOGP3)
3.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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): O95271  
Entrez Gene IDNCBI Entrez Gene ID: 8658  
ASDInformation of known allosteric effects of PDB entries
 
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