Reaction Details
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Extracellular calcium-sensing receptor
Ligand
BDBM50577485
Substrate
n/a
Meas. Tech.
ChEMBL_2130313 (CHEMBL4839742)
IC50
51±n/a nM
Citation
Ramanjulu, JM; Williams, SP; Lakdawala, AS; DeMartino, MP; Lan, Y; Marquis, RW Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. ACS Med Chem Lett 12:1396-1404 (2021) [PubMed] Article More Info.:
Target
Name:
Extracellular calcium-sensing receptor
Synonyms:
CASR_MOUSE | Casr | Extracellular calcium-sensing receptor | Gprc2a | PCaR1 | Parathyroid cell calcium-sensing receptor
Type:
PROTEIN
Mol. Mass.:
120894.09
Organism:
Mus musculus
Description:
ChEMBL_117473
Residue:
1079
Sequence:
MAWFGYCLALLALTWHSSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNMTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQQVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGRIWLASEAWASSSLIAMPEYFHVVGGTIGFGLKAGQIPGFREFLQKVHPRKSVHNGFAKEFWEETFNCHLQDGAKGPLPVDTFVRSHEEGGNRLLNSSTAFRPLCTGDENINSVETPYMDYEHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEGKILWSGFSREVPFSNCSRDCQAGTRKGIIEGEPTCCFECVECPDGEYSGETDASACDKCPDDFWSNENHTSCIAKEIEFLAWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICIIWLYTAPPSSYRNHELEDEIIFITCHEGSLMALGSLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKVYIILFKPSRNTIEEVRSSTAAHAFKVAARATLRRPNISRKRSSSLGGSTGSIPSSSISSKSNSEDRFPQPERQKQQQPLALTQQEQQQQPLTLQPQQQQQPQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSMRQNSLEAQKSNDTLNRHQALLPLQCAEADSEMTIQETGLQGPMVGDHQPEIESPDEMSPALVMSTSRSFVISGGGSSVTENILHS
Inhibitor
Name:
BDBM50577485
Synonyms:
CHEMBL4859029
Type:
Small organic molecule
Emp. Form.:
C24H21FN2O2S
Mol. Mass.:
420.499
SMILES:
Cc1ccc(s1)-c1c(C)nc(-c2cccc(F)c2O)n(CCc2ccccc2)c1=O
Structure:
