Browse entries in the PDBbind-CN Database

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Related entries of code: 4ql8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3gRCSB PDB    PDBbind263aa, >1E3G_1|Chain... at 100%
1i37RCSB PDB    PDBbind260aa, >1I37_1|Chain... at 98%
1xj7RCSB PDB    PDBbind257aa, >1XJ7_1|Chain... at 100%
1z95RCSB PDB    PDBbind246aa, >1Z95_1|Chain... at 99%
2am9RCSB PDB    PDBbind266aa, >2AM9_1|Chain... at 100%
2amaRCSB PDB    PDBbind266aa, >2AMA_1|Chain... at 100%
2ax6RCSB PDB    PDBbind256aa, >2AX6_1|Chain... at 99%
2ax9RCSB PDB    PDBbind256aa, >2AX9_1|Chain... at 100%
2hvcRCSB PDB    PDBbind250aa, >2HVC_1|Chain... at 100%
2ihqRCSB PDB    PDBbind260aa, >2IHQ_1|Chain... at 98%
2nw4RCSB PDB    PDBbind260aa, >2NW4_1|Chain... at 98%
2oz7RCSB PDB    PDBbind249aa, >2OZ7_1|Chain... at 99%
2pixRCSB PDB    PDBbind251aa, >2PIX_1|Chain... at 100%
2yhdRCSB PDB    PDBbind249aa, >2YHD_1|Chain... at 100%
2yloRCSB PDB    PDBbind256aa, >2YLO_1|Chain... at 100%
2ylpRCSB PDB    PDBbind256aa, >2YLP_1|Chain... at 100%
2ylqRCSB PDB    PDBbind256aa, >2YLQ_1|Chain... at 100%
3b5rRCSB PDB    PDBbind249aa, >3B5R_1|Chain... at 100%
3b65RCSB PDB    PDBbind249aa, >3B65_1|Chain... at 100%
3b66RCSB PDB    PDBbind249aa, >3B66_1|Chain... at 100%
3b67RCSB PDB    PDBbind249aa, >3B67_1|Chain... at 100%
3b68RCSB PDB    PDBbind249aa, >3B68_1|Chain... at 100%
3g0wRCSB PDB    PDBbind260aa, >3G0W_1|Chain... at 98%
3zqtRCSB PDB    PDBbind256aa, >3ZQT_1|Chain... at 100%
4hlwRCSB PDB    PDBbind256aa, >4HLW_1|Chain... at 100%
5cj6RCSB PDB    PDBbind283aa, >5CJ6_1|Chain... *
5jjmRCSB PDB    PDBbind252aa, >5JJM_3|Chain... at 100%
5t8eRCSB PDB    PDBbind258aa, >5T8E_1|Chain... at 96%
5t8jRCSB PDB    PDBbind258aa, >5T8J_1|Chain... at 96%
5v8qRCSB PDB    PDBbind249aa, >5V8Q_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 ID4ql8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAndrogen receptor
Ligand NameJAD
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 7396-7411
Ligand Properties
Formula C15H16ClN3O2
Molecular Weight 305.759
Exact Mass 305.093
No. of atoms 37
No. of bonds 39
Polar Surface Area 68.85
LOGP Value 2.21      (Computed with XLOGP3)
1.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P10275  
Entrez Gene IDNCBI Entrez Gene ID: 367  
ASDInformation of known allosteric effects of PDB entries
 
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