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Related entries of code: 5xff
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4qq5RCSB PDB    PDBbind323aa, >4QQ5_1|Chain... *
4qqcRCSB PDB    PDBbind323aa, >4QQC_1|Chain... at 99%
4qrcRCSB PDB    PDBbind323aa, >4QRC_1|Chain... at 99%
4r6vRCSB PDB    PDBbind323aa, >4R6V_1|Chain... at 100%
4uxqRCSB PDB    PDBbind309aa, >4UXQ_1|Chain... at 98%
4xcuRCSB PDB    PDBbind300aa, >4XCU_1|Chain... at 97%
5nudRCSB PDB    PDBbind307aa, >5NUD_1|Chains... at 98%
5nwzRCSB PDB    PDBbind307aa, >5NWZ_1|Chains... at 98%
6nvjRCSB PDB    PDBbind300aa, >6NVJ_1|Chain... at 97%
6nviRCSB PDB    PDBbind300aa, >6NVI_1|Chain... at 97%
6nvhRCSB PDB    PDBbind300aa, >6NVH_1|Chain... at 97%
6nvgRCSB PDB    PDBbind300aa, >6NVG_1|Chain... at 97%
6jpjRCSB PDB    PDBbind311aa, >6JPJ_1|Chain... at 99%
6iupRCSB PDB    PDBbind322aa, >6IUP_1|Chain... at 99%
6iuoRCSB PDB    PDBbind322aa, >6IUO_1|Chain... at 99%
5xfjRCSB PDB    PDBbind311aa, >5XFJ_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5xfjRCSB PDB    PDBbind
Entry Information
PDB ID5xff
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTumor necrosis factor receptor superfamily member 16
Ligand Name
EC.Number E.C.2.7.10.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=6.2nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Chem. Commun. (Camb.) Vol. 54: pp. 12089-12092
Ligand Properties
Formula C21H21Cl2N5O2
Molecular Weight 446.330
Exact Mass 445.107
No. of atoms 51
No. of bonds 54
Polar Surface Area 88.85
LOGP Value 3.42      (Computed with XLOGP3)
4.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): P22455  
Entrez Gene IDNCBI Entrez Gene ID: 2264  
ASDInformation of known allosteric effects of PDB entries
 
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