Browse entries in the PDBbind-CN Database

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Related entries of code: 5dw1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4j1pRCSB PDB    PDBbind114aa, >4J1P_1|Chain... at 98%
4mr5RCSB PDB    PDBbind114aa, >4MR5_1|Chain... at 98%
4mr6RCSB PDB    PDBbind114aa, >4MR6_1|Chain... at 98%
4qevRCSB PDB    PDBbind114aa, >4QEV_1|Chain... at 97%
4qewRCSB PDB    PDBbind114aa, >4QEW_1|Chain... at 97%
4uygRCSB PDB    PDBbind157aa, >4UYG_1|Chains... *
5ek9RCSB PDB    PDBbind114aa, >5EK9_1|Chains... at 98%
5u6vRCSB PDB    PDBbind110aa, >5U6V_1|Chain... at 99%
6moaRCSB PDB    PDBbind110aa, >6MOA_1|Chain... at 100%
6k04RCSB PDB    PDBbind112aa, >6K04_1|Chain... at 100%
6ffgRCSB PDB    PDBbind115aa, >6FFG_1|Chain... at 97%
6fffRCSB PDB    PDBbind115aa, >6FFF_1|Chain... at 97%
6ffeRCSB PDB    PDBbind115aa, >6FFE_1|Chain... at 97%
6e6jRCSB PDB    PDBbind112aa, >6E6J_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5dw2RCSB PDB    PDBbind5GD

Entry Information
PDB ID5dw1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman BRD2(BD2)
Ligand Name5GD
EC.Number E.C.-.-.-.-
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=0.08uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Biochem.Biophys.Res.Commun. Vol. 477: pp. 62-67
Ligand Properties
Formula C24H30N3O4
Molecular Weight 424.513
Exact Mass 424.224
No. of atoms 61
No. of bonds 64
Polar Surface Area 77.88
LOGP Value 3.52      (Computed with XLOGP3)
3.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 7
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
ASDInformation of known allosteric effects of PDB entries

 
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