Reaction Details Report a problem with these data
Target
P2Y purinoceptor 6
Ligand
BDBM50569571
Substrate
n/a
Meas. Tech.
ChEMBL_2109655 (CHEMBL4818330)
IC50
34600±n/a nM
Citation
 Jung, YH; Jain, S; Gopinatth, V; Phung, NB; Gao, ZG; Jacobson, KA Structure activity relationship of 3-nitro-2-(trifluoromethyl)-2H-chromene derivatives as P2Y Bioorg Med Chem Lett 41:0 (2021) [PubMed]  Article 
Target
Name:
P2Y purinoceptor 6
Synonyms:
P2RY6 | P2RY6_HUMAN | P2Y purinoceptor 6 | P2Y6 | Pyrimidinergic receptor P2Y6
Type:
PROTEIN
Mol. Mass.:
36452.29
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1511151
Residue:
328
Sequence:
MEWDNGTGQALGLPPTTCVYRENFKQLLLPPVYSAVLAAGLPLNICVITQICTSRRALTRTAVYTLNLALADLLYACSLPLLIYNYAQGDHWPFGDFACRLVRFLFYANLHGSILFLTCISFQRYLGICHPLAPWHKRGGRRAAWLVCVAVWLAVTTQCLPTAIFAATGIQRNRTVCYDLSPPALATHYMPYGMALTVIGFLLPFAALLACYCLLACRLCRQDGPAEPVAQERRGKAARMAVVVAAAFAISFLPFHITKTAYLAVRSTPGVPCTVLEAFAAAYKGTRPFASANSVLDPILFYFTQKKFRRRPHELLQKLTAKWQRQGR
  
Inhibitor
Name:
BDBM50569571
Synonyms:
CHEMBL4862488
Type:
Small organic molecule
Emp. Form.:
C28H25N3O4
Mol. Mass.:
467.5158
SMILES:
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCC#C)c3ccc(cc3oc2c1)=[N+](C)C |(46.94,-9.23,;46.94,-10.77,;48.27,-11.54,;45.6,-11.54,;44.26,-10.76,;42.93,-11.53,;42.92,-13.07,;41.59,-13.84,;40.26,-13.07,;40.26,-11.52,;38.93,-10.75,;37.6,-11.52,;37.59,-13.06,;38.92,-13.83,;38.52,-15.32,;39.6,-16.42,;37.02,-15.7,;36.27,-10.74,;36.27,-9.2,;34.93,-11.51,;33.6,-10.74,;32.26,-11.51,;30.92,-12.28,;41.59,-15.38,;40.27,-16.14,;40.27,-17.67,;41.6,-18.44,;42.92,-17.67,;42.92,-16.15,;44.26,-15.39,;44.26,-13.84,;45.59,-13.08,;41.6,-19.98,;40.27,-20.75,;42.94,-20.75,)|
Structure:
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