Ki Summary

Reaction Details

Report a problem with these data

Target

Metabotropic glutamate receptor 5

Ligand

BDBM50071376

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1469541 (CHEMBL3412489)

33±n/a nM

Citation

Jaeschke, G; Kolczewski, S; Spooren, W; Vieira, E; Bitter-Stoll, N; Boissin, P; Borroni, E; B�ttelmann, B; Ceccarelli, S; Clemann, N; David, B; Funk, C; Guba, W; Harrison, A; Hartung, T; Honer, M; Huwyler, J; Kuratli, M; Niederhauser, U; P�hler, A; Peters, JU; Petersen, A; Prinssen, E; Ricci, A; Rueher, D; Rueher, M; Schneider, M; Spurr, P; Stoll, T; T�nnler, D; Wichmann, J; Porter, RH; Wettstein, JG; Lindemann, L Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases. J Med Chem58:1358-71 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Metabotropic glutamate receptor 5

Name:

Metabotropic glutamate receptor 5

Synonyms:

Type:

Enzyme

Mol. Mass.:

132484.72

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

1212

Sequence:

MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAV
REQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISS
EEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLS
DKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGI
CIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFL
LLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQ
HRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCP
GYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFD
YINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKEN
EYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVV
FIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYS
ALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIM
HDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYT
TCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTS
TVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMG
NGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRG
LGAGAGAGGSAGGVGATGGAGCAGAGPGGPESPDAGPKALYDVAEAEEHFPAPARPRSPS
PISTLSHRAGSASRTDDDVPSLHSEPVARSSSSQGSLMEQISSVVTRFTANISELNSMML
STAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAA
RESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTL
IIRDYTQSSSSL

BDBM50071376

n/a

Name

BDBM50071376

Synonyms:

CHEMBL3410224

Type

Small organic molecule

Emp. Form.

C18H12ClF2N3

Mol. Mass.

343.758

SMILES

Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|

Structure