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GPCR

Name	Metabotropic glutamate receptor 3
Species	Homo sapiens (Human)
Gene	GRM3
Synonym	GPRC1C mGluR3 mGlu3 receptor glutamate receptor
Disease	Alzheimer disease; Major depressive disorder Anxiety disorder Schizophrenia
Length	879
Amino acid sequence	MKMLTRLQVLTLALFSKGFLLSLGDHNFLRREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEINKDDYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLTKVDEAEYMCPDGSYAIQENIPLLIAGVIGGSYSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGRSNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWVASDGWGAQESIIKGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRNPWFRDFWEQKFQCSLQNKRNHRRVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQRTLCPNTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPNKDADSIVKFDTFGDGMGRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIHWSRNSVPTSQCSDPCAPNEMKNMQPGDVCCWICIPCEPYEYLADEFTCMDCGSGQWPTADLTGCYDLPEDYIRWEDAWAIGPVTIACLGFMCTCMVVTVFIKHNNTPLVKASGRELCYILLFGVGLSYCMTFFFIAKPSPVICALRRLGLGSSFAICYSALLTKTNCIARIFDGVKNGAQRPKFISPSSQVFICLGLILVQIVMVSVWLILEAPGTRRYTLAEKRETVILKCNVKDSSMLISLTYDVILVILCTVYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVHIILFQPQKNVVTHRLHLNRFSVSGTGTTYSQSSASTYVPTVCNGREVLDSTTSSL
UniProt	Q14832
Protein Data Bank	3sm9, 6b7h, 4xar, 5cnk, 5cnm
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 3sm9.
BioLiP	BL0324562, BL0307715, BL0204618, BL0324563, BL0412294, BL0412295, BL0324561
Therapeutic Target Database	T02719
ChEMBL	CHEMBL2888
IUPHAR	291
DrugBank	N/A

Ligand

Name	MGS-0039
Molecular formula	C15H14Cl2FNO5
IUPAC name	(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight	378.177
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-0.7
Synonyms	DTXSID40432407 BDBM50151435 MGS 0039 (1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid D0S9VL SCHEMBL234576 (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 569686-87-9 GTPL1397 (1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid D0T3DG BCI-632 LFAGGDAZZKUVKO-JAGWWQSPSA-N (1R, 2R, 3R, 5R, 6R)-2-amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid CHEMBL186453 MGS0039 (1r,2r,3r,5r,6r)-2-amino-3-(3,4-dichlorobenzyloxy)6-fluorobicyclo[3.1.0] hexane-2,6-dicarboxylic acid [ Show all ]
Inchi Key	LFAGGDAZZKUVKO-JAGWWQSPSA-N
Inchi ID	InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
PubChem CID	9886034
ChEMBL	CHEMBL186453
IUPHAR	1397
BindingDB	50151435
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	24.0 nM	PMID22318160	BindingDB,ChEMBL
Ki	4.5 nM	PMID22318160	BindingDB,ChEMBL

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