Reaction Details  Report a problem with these data
Target
Aryl hydrocarbon receptor
Ligand
BDBM50525574
Substrate
n/a
Meas. Tech.
ChEMBL_1897406 (CHEMBL4399441)
IC50
8.3±n/a nM
Citation
 Jeong, J; Kim, KH; Kim, DY; Chandrasekaran, G; Kim, M; Pagire, SH; Dighe, M; Choi, EY; Bak, SM; Kim, EY; Shin, MG; Choi, SY; Ahn, JH Identification of new aryl hydrocarbon receptor (AhR) antagonists using a zebrafish model. Bioorg Med Chem 27:0 (2019) [PubMed]  Article
Target
Name:
Aryl hydrocarbon receptor
Synonyms:
Aryl hydrocarbon receptor | Synonyms=AHR2 | ahr2
Type:
PROTEIN
Mol. Mass.:
112797.07
Organism:
Danio rerio
Description:
ChEMBL_119263
Residue:
1027
Sequence:
MSAGIGTYAVKKRKKPVQKIPKPPPPDGVKSNPSKRHRDRLNSELDKLTNLLPFSEDVRARLDKLSVLRLSVGYLKVKSFFNATIKKTGGNGWLNDRSGTFGGNGQTASSLDGVNFSEGELLLQALNGFVLVVTAEGYVFYSSPTIQDYLGFHQSDVVHHSVFELIHTDDRAMFRRQLHFALNPSSDSADGSEAMQSSSDITRDMVNYNPQHIPPENSSFLERSFCCRFRCLLDNSSGFLALNFQGRLKYLHGQNKLAEDGTLAHPQLALFIIATPLQPPSILEIRSKTLLFQTKHKLDFTPMGIDTRGKVVLGYTEIELCMRGSGYQFIHAADMMYCADNHIRMIKTGESGLTVFRLLSKGGTWIWVQANARLVYKAGRPDFIIARQRALTNEEGEEHLRQRKLQLPFNCATGEGVLYEVGPTLDVAEIQNQSKGQKMLNPPSLDPDSLLGSMLKQDHSLYSQNNDPNSQFTIDKAFGDSHALLNVPGNTWQPSTPNTVPGIKEEAVVKDMLETLQQIIEVGNNCNSLEDFNLDRMELKEWENTLCRMNYNNDMEINEIITEDIFSYVEDVLFKENGIQPLKDLGPFSEMSEGLSELELQNNLAANQEFSCQAGVHGGSPGQGGFIGMNIQEGMDTSSPGRGTVKLSHMGPQMLPGNNFIQSFGLDQTTQKMAGNSNILFRPSLAMQQSQQPNQVNLGLQGVVQENGIVPCGQRNLLTGNQPHPNTMTLPLQSPLVQGTSTQPMGFRNQNSLPQQPSISQNPQWVPSSNSVVDNRMNSCAHNVSGPQDAGLHSGPFANLQGQFSLHTQNAANAGPPGWQQSQPTPQGVPTSFSGGHQPGFISQVTDFQRGTLNQMMPHTNGQGIGSGFLPKESASAIYPQQGDFINNSPHKTSTSCMFMNNAQPSVNGMQYGSADLVSGMSSCQGTKGLLTQSPTQASCYFQRGPSETIVGTAVIPQEDNNISPMACQLPLGLPPDNIISQQYLSCNTQTQVANRPLKETEMFHFPMLTNGTTYFPDNNQSNCCDY
  
Inhibitor
Name:
BDBM50525574
Synonyms:
CHEMBL4546269
Type:
Small organic molecule
Emp. Form.:
C19H20O3
Mol. Mass.:
296.3603
SMILES:
COc1ccccc1C(=O)\C=C\c1ccc(OC(C)C)cc1
Structure:
Search PDB for entries with ligand similarity: