Browse entries in the PDBbind-CN Database

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Related entries of code: 6fni
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vwuRCSB PDB    PDBbind302aa, >2VWU_1|Chain... *
2vwvRCSB PDB    PDBbind302aa, >2VWV_1|Chain... at 100%
2vwwRCSB PDB    PDBbind302aa, >2VWW_1|Chain... at 100%
2vwxRCSB PDB    PDBbind302aa, >2VWX_1|Chain... at 100%
2vwyRCSB PDB    PDBbind302aa, >2VWY_1|Chain... at 100%
2vwzRCSB PDB    PDBbind302aa, >2VWZ_1|Chain... at 100%
2vx0RCSB PDB    PDBbind302aa, >2VX0_1|Chain... at 100%
2vx1RCSB PDB    PDBbind302aa, >2VX1_1|Chain... at 100%
2x9fRCSB PDB    PDBbind302aa, >2X9F_1|Chain... at 100%
2xvdRCSB PDB    PDBbind302aa, >2XVD_1|Chain... at 100%
4aw5RCSB PDB    PDBbind291aa, >4AW5_1|Chain... at 97%
4bb4RCSB PDB    PDBbind302aa, >4BB4_1|Chain... at 100%
6fnjRCSB PDB    PDBbind297aa, >6FNJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6fnfRCSB PDB    PDBbindDXH

Entry Information
PDB ID6fni
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEphB4 Receptor Protein Kinase
Ligand NameDXH
EC.Number E.C.-.-.-.-
Resolution 1.47(Å)
Affinity (Kd/Ki/IC50)Kd=6nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ChemMedChem Vol. 13: pp. 1629-1633
Ligand Properties
Formula C26H20F3N7O
Molecular Weight 503.479
Exact Mass 503.168
No. of atoms 57
No. of bonds 61
Polar Surface Area 97.62
LOGP Value 4.74      (Computed with XLOGP3)
5.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
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): P54760  
Entrez Gene IDNCBI Entrez Gene ID: 2050  
ASDInformation of known allosteric effects of PDB entries

 
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