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GLASS

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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	2-amino-4-phosphonobutanoic acid
Molecular formula	C4H10NO5P
IUPAC name	2-amino-4-phosphonobutanoic acid
Molecular weight	183.1
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	-5.5
Synonyms	NCGC00024466-03 NSC354086 (+/-)-AP-4 Tox21_500064 2-Amino-4-phosphonobutyric acid ACM20263074 BUTYRIC ACID, 2-AMINO-4-PHOSPHONO- DL-0710 GlcN-6-P synthase inhibitor, 1 (racemic mixture) L-(+)-2-AMINO-4-PHOSPHONO-BUTYRIC ACID LS-47843 NCGC00015041-03 NCI60_002523 ( inverted question mark)-2-Amino-4-phosphonobutyric acid PDSP2_000805 BDBM50004051 DL-2-Amino-4-phosphonobutyric acid IN1534 L-2-amino-4-phosphonobutyrate NCGC00015041-06 NSC-354086 (+/-)-2-Amino-4-phosphonobutyric acid SR-01000075414-1 2-Amino-4-phosphono-butyric acid (AP4) AC1L1D5X Butanoic acid, 2-amino-4-phosphono- D00IGI FCH1114914 L -(+)-2-Amino-4-phosphono- butanoic acid Lopac0_000064 MFCD00013999 NCGC00024466-04 OR311226 (?)-2-Amino-4-phosphonobutyric acid 20263-07-4 AKOS015892998 C-51648 DL-2-Amino-4-phosphono-butanoic acid HMS3260M09 L-2-amino-4-phosphobutyric acid NCGC00015041-04 NSC 30079 ( inverted question mark)-AP-4 SCHEMBL56139 2 APB 6323-99-5 BN0082 CHEMBL285843 DL-AP4 J-013164 L-AP4 cpd, butyric NCGC00024466-02 NSC30079 (+/-)-2-Amino-4-phosphonobutyric acid, solid SR-01000075414-3 AC1Q6RPJ Butanoic acid, 2-amino-4-phosphono- (9CI) DDOQBQRIEWHWBT-UHFFFAOYSA-N FT-0625388 L -AP4 LP00064 MolPort-002-513-394 NCGC00260749-01 ( inverted exclamation markA)-AP-4 PDSP1_000818 (y)-2-Amino-4-phosphonobutyric acid 4-Amino Phosphonobutyrate AM807295 CCG-204159 DL-2-Amino-4-phosphonobutanoic acid (AP4) I04-1589 L-2-amino-4-phosphonobutanoic acid NCGC00015041-05 NSC-30079 (+/-)-2-AMINO-4-PHOSPHONO-BUTYRIC ACID SR-01000075414 2-Amino-4-phosphono-butyric acid Abu(P) BRN 5255932 CTK5B8255 EU-0100064 KS-000024GC L000344 [ Show all ]
Inchi Key	DDOQBQRIEWHWBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
PubChem CID	2207
ChEMBL	CHEMBL285843
IUPHAR	N/A
BindingDB	50004051
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID11080213	BindingDB

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