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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3753306
Molecular formula	C21H19N3O2
IUPAC name	(1R)-1-naphthalen-1-yl-N-[(7-nitro-1H-indol-2-yl)methyl]ethanamine
Molecular weight	345.402
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50140173 J3.541.103H (1R)-N-(7-Nitro-1H-indole-2-ylmethyl)-1-(1-naphthyl)ethanamine
Inchi Key	VFNKRNJLVCWDAT-CQSZACIVSA-N
Inchi ID	InChI=1S/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
PubChem CID	127036924
ChEMBL	CHEMBL3753306
IUPHAR	N/A
BindingDB	50140173
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	70.0 %	PMID26752095	ChEMBL
Activity	102.0 %	PMID26752095	ChEMBL
EC50	20.0 nM	PMID26752095	BindingDB,ChEMBL
EC50	20.42 nM	PMID26752095	ChEMBL

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