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GPCR

Name	Metabotropic glutamate receptor 5
Species	Homo sapiens (Human)
Gene	GRM5
Synonym	mGlu5 receptor glutamate receptor GPRC1E mGluR5
Disease	Central nervous system disease Chronic neuropathic pain Fragile X syndrome Major depressive disorder; GERD; Chronic neuropathic pain Autism Anxiety disorder Alzheimer disease Unspecified Major depressive disorder Neuropathic pain; Migraine Neurological disease Mood disorder [ Show all ]
Length	1212
Amino acid sequence	MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRGLGAGAGAGGSAGGVGATGGAGCAGAGPGGPESPDAGPKALYDVAEAEEHFPAPARPRSPSPISTLSHRAGSASRTDDDVPSLHSEPVARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAARESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProt	P41594
Protein Data Bank	4oo9, 5cgc, 5cgd, 6ffh, 6ffi, 6n4x, 6n4y, 6n50, 6n51, 3lmk
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4oo9.
BioLiP	BL0176927,BL0176931, BL0176928,BL0176929,BL0176930, BL0281199, BL0322076, BL0322077, BL0407724, BL0438693, BL0438694, BL0438695,BL0438696,BL0438697, BL0407725, BL0438698,BL0438699
Therapeutic Target Database	T99347
ChEMBL	CHEMBL3227
IUPHAR	293
DrugBank	BE0001192

Ligand

Name	(1S,3R)-ACPD
Molecular formula	C7H11NO4
IUPAC name	(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid
Molecular weight	173.168
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	-3.2
Synonyms	149881-50-5 ACPD CB 1712 D04DKM HMS3260C16 MLS002153209 SCHEMBL179741 (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid Tox21_500097 1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1S-cis)- trans-(y)-ACPD 1-amino-1,3-dicarboxycyclopentane, cis-(1S,3S)-isomer 1-Aminocyclopentane-1S,3R-dicarboxylic acid B6220 CHEMBL34453 FT-0639513 J-500447 NCGC00024488-04 SR-01000075420-1 trans-( inverted question mark)-ACPD 1-Amino-1,3-dicarboxycyclopentane YFYNOWXBIBKGHB-FBCQKBJTSA- 130942-93-7 AC1L2XGH BN0051 cis-ACPD FT-0695378 LP00097 PDSP1_000813 SR-01000597678-2 (trans)-1-aminocyclopentyl-1,3-dicarboxylate trans-(1S,3R)-ACPD 1-amino-1,3-dicarboxycyclopentane, (trans)-isomer 1S,3R-ACPD ACPD-1S,3R CCG-204192 EU-0100097 I04-8357 MolPort-003-940-060 SMR001230688 (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;hydrate trans-( )-ACPD monohydrate 1,3-Cyclopentanedicarboxylicacid, 1-amino-, (1S,3R)- trans-1-aminocyclopentane-1,3-dicarboxylate 1-amino-1,3-dicarboxycyclopentane, trans-(1R,3S)-isomer 1-aminocyclopentyl-1,3-dicarboxylic acid 67684-64-4 B6245 cid_16218853 FT-0639514 J-500459 NCGC00024488-05 SR-01000597678 (1S,3S)-1-amino-1,3-cyclopentanedicarboxylic acid trans-(+/-)-ACPD 1-amino-1,3-dicarboxycyclopentane, (cis)-(+-)-isomer ZINC2004213 AC1Q5QYM C5b CTK0H3900 GTPL1365 LS-57947 PDSP2_000800 (1S,3R)-1-ACPD t-ACPD 1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1S,3R)- trans-(?)-ACPD 1-amino-1,3-dicarboxycyclopentane, cis-(1R,3R)-isomer 27-84-9 AKOS017344535 FCH839908 InChI=1/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 NCGC00024488-03 SR-01000075420 (1S,3R)-1-azanylcyclopentane-1,3-dicarboxylic acid;hydrate trans-( inverted question mark)-1-Amino-1,3-cyclopentanedicarboxylic acid 1-Amino-1,3-cyclopentanedicarboxylic acid trans-ACPD 1-amino-cyclopentyl-trans-1S,3R-dicarboxylate 111900-32-4 A-155 BDBM66976 cis-1-amino-1,3-cyclopentanecarboxylic acid FT-0695375 Lopac0_000097 NCGC00260782-01 SR-01000597678-1 (1S,3S)-ACPD trans-(1S,3R)-1-Amino-1,3-cyclopentanedicarboxylic acid 1-amino-1,3-dicarboxycyclopentane, (trans)-(+-)-isomer [ Show all ]
Inchi Key	YFYNOWXBIBKGHB-FBCQKBJTSA-N
Inchi ID	InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
PubChem CID	104766
ChEMBL	CHEMBL34453
IUPHAR	1365
BindingDB	66976
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	15000.0 nM	PMID12166935	ChEMBL
EC50	23000.0 nM	PMID9572889	BindingDB,ChEMBL
Ki	15000.0 nM	PMID10893301	BindingDB,ChEMBL

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