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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Extracellular calcium-sensing receptor
Species	Bos taurus (Bovine)
Gene	CASR
Synonym	BoPCaR1 {ECO:0000303\|PubMed:8255296} CaSR Parathyroid cell calcium-sensing receptor {ECO:0000303\|PubMed:8255296} PCaR1 {ECO:0000303\|PubMed:8255296}
Disease	N/A for non-human GPCRs
Length	1085
Amino acid sequence	MALYSCCWILLAFSTWCTSAYGPDQRAQKKGDIILGGLFPIHFGVAVKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNMTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGISTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEKIQQVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGRIWLASEAWASSSLIAMPEYFHVVGGTIGFGLKAGQIPGFREFLQKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEEGGARLSNSPTAFRPLCTGEENISSVETPYMDYTHLRISYNVYLAVYSIAHALQDIYTCIPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTSNMGEQVTFDECGDLAGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINDEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACDKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICAIWLNTAPPSSYRNHELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKVYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRQRSSSLGGSTGSTPSSSISSKSNSEDPFPQQQPKRQKQPQPLALSPHNAQQPQPRPPSTPQPQPQSQQPPRCKQKVIFGSGTVTFSLSFDEPQKTAVAHRNSTHQTSLEAQKNNDALTKHQALLPLQCGETDSELTSQETGLQGPVGEDHQLEMEDPEEMSPALVVSNSRSFVISGGGSTVTENMLRS
UniProt	P35384
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075316
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	NPS-2143
Molecular formula	C24H25ClN2O2
IUPAC name	2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile
Molecular weight	408.926
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.0
Synonyms	KB-79558 NPS-2143 - SB-262470 SB-262470A Z25PJ77W7V 035N332 2-[(R)-2-Hydroxy-3-[1,1-dimethyl-2-(2-naphthyl)ethylamino]propoxy]-6-chlorobenzonitrile AN-16514 CS-0319 NCGC00344510-02 NPS2143, NPS 2143 , 284035-33-2 SCHEMBL13597018 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile BDBM50161093 DTXSID10426075 GTPL716 SB 262470 W-5312 (+)-NPS-2143 2-Chloro-6-[(2r)-3-[[1,1-dimethyl-2-(2-napthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile AC1OCFG2 LS-38661 NPS-2143(SB 262470A ) SB19556 ZINC3975668 2-Chloro-6-[((2R)-3-([1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino)-2-hydroxypropyl)oxy]benzonitrile hydrochloride 284035-33-2 BCP02421 D0G1RH NPS 2143 S14-2548 SW219455-1 2-CHLORO-6-[(2R)-3-[[1,1-DIMETHYL-2-(2-NAPHTHALENYL)ETHYL]AMINO]-2-HYDROXYPROPOXY]BENZONITRILE AB0033815 Benzonitrile, 2-chloro-6-((2R)-3-((1,1-dimethyl-2-(2-naphthalenyl)ethyl)amino)-2-hydroxypropoxy)- EX-A017 HY-10007 NPS-2143 (SB262470) SB-262470 X7586 (R)-2-chloro-6-(2-hydroxy-3-((2-methyl-1-(naphthalen-2-yl)propan-2-yl)amino)propoxy)benzonitrile 2-Chloro-6-[(R)-3-(1,1-dimethyl-2-naphthalen-2-yl-ethylamino)-2-hydroxy-propoxy]-benzonitrile AKOS025401886 CHEMBL180672 MolPort-021-805-006 NPS2143 SB262470 [5-[[4-[[(2S)-2-Amino-1-oxopropyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile BCPP000077 NPS 2143, SB262470 hydrochloride s2633 UNII-Z25PJ77W7V 2-chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]benzonitrile AC-26854 C24H25ClN2O2 FT-0774152 [ Show all ]
Inchi Key	PZUJQWHTIRWCID-HXUWFJFHSA-N
Inchi ID	InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
PubChem CID	6918446
ChEMBL	CHEMBL180672
IUPHAR	716
BindingDB	50161093
DrugBank	DB05695
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	41.0 nM	PMID20218623	BindingDB,ChEMBL

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