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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Extracellular calcium-sensing receptor
Species	Rattus norvegicus (Rat)
Gene	Casr
Synonym	PCaR1 Parathyroid cell calcium-sensing receptor GPRC2A extracellular calcium-sensing receptor divalent cation-sensing receptor CaSR CaS receptor CaR calcium-sensing receptor RaKCaR {ECO:0000303\|PubMed:7816802} [ Show all ]
Disease	N/A for non-human GPCRs
Length	1079
Amino acid sequence	MASYSCCLALLALAWHSSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPSLLPNMTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQYKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQQVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGRIWLASEAWASSSLIAMPEYFHVVGGTIGFGLKAGQIPGFREFLQKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFVRSHEEGGNRLLNSSTAFRPLCTGDENINSVETPYMDYEHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCQAGTRKGIIEGEPTCCFECVECPDGEYSGETDASACDKCPDDFWSNENHTSCIAKEIEFLAWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQILICIIWLYTAPPSSYRNHELEDEIIFITCHEGSLMALGSLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKVYIILFKPSRNTIEEVRSSTAAHAFKVAARATLRRPNISRKRSSSLGGSTGSIPSSSISSKSNSEDRFPQPERQKQQQPLSLTQQEQQQQPLTLHPQQQQQPQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSMRQNSLEAQRSNDTLGRHQALLPLQCADADSEMTIQETGLQGPMVGDHQPEMESSDEMSPALVMSTSRSFVISGGGSSVTENVLHS
UniProt	P48442
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	CHEMBL2516
IUPHAR	54
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	SB-262470A Z25PJ77W7V 035N332 2-[(R)-2-Hydroxy-3-[1,1-dimethyl-2-(2-naphthyl)ethylamino]propoxy]-6-chlorobenzonitrile AN-16514 CS-0319 KB-79558 NPS-2143 - SB-262470 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 NCGC00344510-02 SB 262470 W-5312 (+)-NPS-2143 2-Chloro-6-[(2r)-3-[[1,1-dimethyl-2-(2-napthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile AC1OCFG2 GTPL716 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 LS-38661 NPS-2143(SB 262470A ) 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 NPS 2143 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 HY-10007 NPS-2143 (SB262470) 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 MolPort-021-805-006 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 NPS 2143, SB262470 hydrochloride [ 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
IC50	460.0 nM	PMID16913701	BindingDB,ChEMBL
IC50	530.0 nM	PMID16216508	BindingDB,ChEMBL
Inhibition	77.0 %	PMID16913701	ChEMBL
Inhibition	87.0 %	PMID16913701	ChEMBL

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