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Target
Metabotropic glutamate receptor 5
Ligand
BDBM50240880
Substrate
n/a
Meas. Tech.
ChEMBL_1669256 (CHEMBL4019144)
IC50
168±n/a nM
Citation
 Stepan, AF; Claffey, MM; Reese, MR; Balan, G; Barreiro, G; Barricklow, J; Bohanon, MJ; Boscoe, BP; Cappon, GD; Chenard, LK; Cianfrogna, J; Chen, L; Coffman, KJ; Drozda, SE; Dunetz, JR; Ghosh, S; Hou, X; Houle, C; Karki, K; Lazzaro, JT; Mancuso, JY; Marcek, JM; Miller, EL; Moen, MA; O'Neil, S; Sakurada, I; Skaddan, M; Parikh, V; Smith, DL; Trapa, P; Tuttle, JB; Verhoest, PR; Walker, DP; Won, A; Wright, AS; Whritenour, J; Zasadny, K; Zaleska, MM; Zhang, L; Shaffer, CL Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates. J Med Chem 60:7764-7780 (2017) [PubMed]  Article 
Target
Name:
Metabotropic glutamate receptor 5
Synonyms:
GRM5_RAT | Gprc1e | Grm5 | Metabotropic glutamate receptor | Mglur5 | metabotropic glutamate 5 | metabotropic glutamate 5/1-C | metabotropic glutamate 5/1-F | metabotropic glutamate 5a
Type:
Enzyme
Mol. Mass.:
131900.14
Organism:
Rattus norvegicus (Rat)
Description:
P31424
Residue:
1203
Sequence:
MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLRSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNLRNPWFQEFWQHRFQCRLEGFAQENSKYNKTCNSSLTLRTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLDSLMKTNFTGVSGDMILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKNNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVIFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSTRGQHLWQRLSVHINKKENPNQTAVIKPFPKSTENRGPGAAAGGGSGPGVAGAGNAGCTATGGPEPPDAGPKALYDVAEAEESFPAAARPRSPSPISTLSHLAGSAGRTDDDAPSLHSETAARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAATPGPPGTPICSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQGATGVSPAQETPTGAESAPGKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
  
Inhibitor
Name:
BDBM50240880
Synonyms:
CHEMBL4060880
Type:
Small organic molecule
Emp. Form.:
C14H11N3OS
Mol. Mass.:
269.322
SMILES:
O=c1cc(SCc2ccccn2)nc2ccccn12
Structure:
Search PDB for entries with ligand similarity: