Reaction Details Report a problem with these data
Target
Corticosteroid-binding globulin
Ligand
BDBM50474607
Substrate
n/a
Meas. Tech.
ChEMBL_48199 (CHEMBL665995)
Ki
28±n/a nM
Citation
 Kotani, T; Higashiura, K Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR. J Med Chem 47:2732-42 (2004) [PubMed]  Article 
Target
Name:
Corticosteroid-binding globulin
Synonyms:
CBG | CBG_HUMAN | Corticosteroid binding globulin | SERPINA6
Type:
PROTEIN
Mol. Mass.:
45136.82
Organism:
Homo sapiens
Description:
ChEMBL_10503
Residue:
405
Sequence:
MPLLLYTCLLWLPTSGLWTVQAMDPNAAYVNMSNHHRGLASANVDFAFSLYKHLVALSPKKNIFISPVSISMALAMLSLGTCGHTRAQLLQGLGFNLTERSETEIHQGFQHLHQLFAKSDTSLEMTMGNALFLDGSLELLESFSADIKHYYESEVLAMNFQDWATASRQINSYVKNKTQGKIVDLFSGLDSPAILVLVNYIFFKGTWTQPFDLASTREENFYVDETTVVKVPMMLQSSTISYLHDSELPCQLVQMNYVGNGTVFFILPDKGKMNTVIAALSRDTINRWSAGLTSSQVDLYIPKVTISGVYDLGDVLEEMGIADLFTNQANFSRITQDAQLKSSKVVHKAVLQLNEEGVDTAGSTGVTLNLTSKPIILRFNQPFIIMIFDHFTWSSLFLARVMNPV
  
Inhibitor
Name:
BDBM50474607
Synonyms:
Barquinol HC | CHEBI:17609 | Chloromycetin Hydrocort | Colifoam | Cortef Acetate | Cortifoam | Cortril | Cortucid | Dricort | Epifoam | Framycort | Fucidin H | Genticin HC | Gentisone HC | Gppe Ear Susp | Gppe Eye Crm | Gppe Foam Aero | Hc45 Hydrocort | Hemsol-Hc | Hepacort Plus | Hydrocal | Hydrocortisone 21-acetate | Hydrocortisone Acetate | Hydrocortone | Lanacort | Micort-Hc | NSC-741 | Neo-Cortef | Orabase Hca
Type:
Small organic molecule
Emp. Form.:
C23H32O6
Mol. Mass.:
404.4966
SMILES:
[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:26|
Structure:
Search PDB for entries with ligand similarity: