Browse entries in the PDBbind-CN Database

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Related entries of code: 6mdq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5dqfRCSB PDB    PDBbind580aa, >5DQF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2am9RCSB PDB    PDBbindTES
3kdmRCSB PDB    PDBbindTES

Entry Information
PDB ID6mdq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerum albumin
Ligand NameTES
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Kd=367uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Chem Sci Vol. 10: pp. 1607-1618
Ligand Properties
Formula C19H28O2
Molecular Weight 288.424
Exact Mass 288.209
No. of atoms 49
No. of bonds 52
Polar Surface Area 37.3
LOGP Value 3.33      (Computed with XLOGP3)
3.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
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): P35747  
Entrez Gene IDNCBI Entrez Gene ID: 100034206  
ASDInformation of known allosteric effects of PDB entries

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