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Name | Metabotropic glutamate receptor 5 |
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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 [ 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 |
Name | CHEMBL3605300 |
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Molecular formula | C22H21FN2O3 |
IUPAC name | [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydro-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone |
Molecular weight | 380.419 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | BDBM50110250 |
Inchi Key | AMWBCTJDWPRVAG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21FN2O3/c1-22(2)14-25(21(26)15-8-10-16(23)11-9-15)12-18-20(22)24-19(28-18)13-27-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3 |
PubChem CID | 122186366 |
ChEMBL | CHEMBL3605300 |
IUPHAR | N/A |
BindingDB | 50110250 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
%max | 73.0 % | PMID26183084 | ChEMBL |
EC50 | 170.0 nM | PMID26183084 | BindingDB,ChEMBL |
EC50 | 173.78 nM | PMID26183084 | ChEMBL |
EC50 | 174.0 nM | PMID26183084 | BindingDB |
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