Browse entries in the PDBbind-CN Database

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Related entries of code: 6fmf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3i97RCSB PDB    PDBbind158aa, >3I97_1|Chains... *
5ijrRCSB PDB    PDBbind156aa, >5IJR_1|Chains... at 100%
5iyyRCSB PDB    PDBbind158aa, >5IYY_1|Chains... at 100%
5j1xRCSB PDB    PDBbind158aa, >5J1X_1|Chains... at 100%
5jgiRCSB PDB    PDBbind156aa, >5JGI_1|Chains... at 100%
5jgqRCSB PDB    PDBbind158aa, >5JGQ_1|Chains... at 100%
5jhkRCSB PDB    PDBbind158aa, >5JHK_1|Chains... at 100%
6fmcRCSB PDB    PDBbind158aa, >6FMC_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6fmcRCSB PDB    PDBbindDUE
Entry Information
PDB ID6fmf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNRP1-b1
Ligand NameDUE
EC.Number E.C.-.-.-.-
Resolution 2.81(Å)
Affinity (Kd/Ki/IC50)Kd=1.32uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 4135-4154
Ligand Properties
Formula C26H30N6O6S2
Molecular Weight 586.683
Exact Mass 586.167
No. of atoms 70
No. of bonds 73
Polar Surface Area 255.98
LOGP Value 2.68      (Computed with XLOGP3)
2.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
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): O14786  
Entrez Gene IDNCBI Entrez Gene ID: 8829  
ASDInformation of known allosteric effects of PDB entries
 
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