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Related entries of code: 1nde
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u3qRCSB PDB    PDBbind240aa, >1U3Q:D|PDBID|CHAIN|... at 99%
1u9eRCSB PDB    PDBbind241aa, >1U9E:B|PDBID|CHAIN|... at 99%
2giuRCSB PDB    PDBbind241aa, >2GIU:A|PDBID|CHAIN|... at 98%
2i0gRCSB PDB    PDBbind257aa, >2I0G:B|PDBID|CHAIN|... at 94%
2jj3RCSB PDB    PDBbind257aa, >2JJ3:B|PDBID|CHAIN|... at 94%
2nv7RCSB PDB    PDBbind238aa, >2NV7:B|PDBID|CHAIN|... at 100%
2qtuRCSB PDB    PDBbind257aa, >2QTU:B|PDBID|CHAIN|... at 94%
2z4bRCSB PDB    PDBbind257aa, >2Z4B:B|PDBID|CHAIN|... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1nde
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameestrogen receptor beta
Ligand NameMON
EC.Number E.C.-.-.-.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Ki=15nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Med.Chem. v45 pp. 5492-505, 2002
Ligand Properties
Formula C24H30ClN6OS
Molecular Weight 486.053
Exact Mass 485.189
No. of atoms 63
No. of bonds 66
Polar Surface Area 116.08
LOGP Value 5.48      (Computed with XLOGP3)
4.70      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
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): Q92731  
Entrez Gene IDNCBI Entrez Gene ID: 2100  
ASDInformation of known allosteric effects of PDB entries

 
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