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GPCR

Name	Metabotropic glutamate receptor 1
Species	Rattus norvegicus (Rat)
Gene	Grm1
Synonym	mGluR1 SCAR13 mGlu1 receptor metabotropic glutamate receptor 1 wobl GPRC1A glutamate receptor, metabotropic 1 glutamate receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	1199
Amino acid sequence	MVRLLLIFFPMIFLEMSILPRMPDRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGLNRCLPDGQTLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKKVCTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGRKLLDFLIKSSFVGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGMVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEFVQDEFTCRACDLGWWPNAELTGCEPIPVRYLEWSDIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPVGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKPGAGNANSNGKSVSWSEPGGRQAPKGQHVWQRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDASTKTLYNVEEEDNTPSAHFSPPSSPSMVVHRRGPPVATTPPLPPHLTAEETPLFLADSVIPKGLPPPLPQQQPQQPPPQQPPQQPKSLMDQLQGVVTNFGSGIPDFHAVLAGPGTPGNSLRSLYPPPPPPQHLQMLPLHLSTFQEESISPPGEDIDDDSERFKLLQEFVYEREGNTEEDELEEEEDLPTASKLTPEDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVTYASVILRDYKQSSSTL
UniProt	P23385
Protein Data Bank	1iss, 1isr, 1ewk
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 1iss.
BioLiP	BL0023849, BL0023850,BL0023851, BL0011887,BL0011889, BL0011888,BL0011890
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4477
IUPHAR	289
DrugBank	N/A

Ligand

Name	DFMTI
Molecular formula	C20H18F2N4O
IUPAC name	5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one
Molecular weight	368.388
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one. CS-5849 M-265 864864-86-8 GTPL6335 SCHEMBL1500017 5-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2-isopropylisoindolin-1-one KS-00001CM3 D0OS8Y MK-5435 2-Isopropyl-5-[1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazole-4-yl]isoindoline-1-one AKOS032944969 HY-100404 ZINC13983201 5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one CHEMBL579062 L023906 MolPort-044-724-496 4-(2-isopropyl-1-oxo-isoindoline-5-yl)-1-(2,4-difluorophenyl)-5-methyl-1H-[1,2,3]triazole BDBM50301804 KKZVYGIANGOHBS-UHFFFAOYSA-N [ Show all ]
Inchi Key	KKZVYGIANGOHBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3
PubChem CID	15985251
ChEMBL	CHEMBL579062
IUPHAR	6335
BindingDB	50301804
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	3.6 nM	PMID19692242	BindingDB,ChEMBL

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