Reaction Details Report a problem with these data
Target
Beta-lactoglobulin
Ligand
BDBM50092056
Substrate
n/a
Meas. Tech.
ChEMBL_596563 (CHEMBL1042582)
Kd
36±n/a nM
Citation
 Riihimäki-Lampén, LH; Vainio, MJ; Vahermo, M; Pohjala, LL; Heikura, JM; Valkonen, KH; Virtanen, VT; Yli-Kauhaluoma, JT; Vuorela, PM The binding of synthetic retinoids to lipocalin beta-lactoglobulins. J Med Chem 53:514-8 (2010) [PubMed]  Article 
Target
Name:
Beta-lactoglobulin
Synonyms:
Allergen=Bos d 5 | Beta-LG | LACB_BOVIN | LGB
Type:
PROTEIN
Mol. Mass.:
19877.00
Organism:
Bos taurus
Description:
ChEMBL_596563
Residue:
178
Sequence:
MKCLLLALALTCGAQALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
  
Inhibitor
Name:
BDBM50092056
Synonyms:
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol | Afaxin | Alphalin | CHEMBL986 | Chocola A | Retinol | all-trans-retinol | all-trans-retinyl alcohol | all-trans-vitamin A alcohol
Type:
Small organic molecule
Emp. Form.:
C20H30O
Mol. Mass.:
286.4516
SMILES:
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:12|
Structure:
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