Reaction Details  Report a problem with these data
Target
Metabotropic glutamate receptor 1
Ligand
BDBM50439555
Substrate
n/a
Meas. Tech.
ChEMBL_979659 (CHEMBL2421151)
IC50
>10000±n/a nM
Citation
 Manka, JT; Rodriguez, AL; Morrison, RD; Venable, DF; Cho, HP; Blobaum, AL; Daniels, JS; Niswender, CM; Conn, PJ; Lindsley, CW; Emmitte, KA Octahydropyrrolo[3,4-c]pyrrole negative allosteric modulators of mGlu1. Bioorg Med Chem Lett 23:5091-6 (2013) [PubMed]  Article
Target
Name:
Metabotropic glutamate receptor 1
Synonyms:
GPRC1A | GRM1 | GRM1_HUMAN | MGLUR1 | Metabotropic Glutamate 1a | metabotropic glutamate 1
Type:
Enzyme
Mol. Mass.:
132358.19
Organism:
Homo sapiens (Human)
Description:
Q13255
Residue:
1194
Sequence:
MVGLLLFFFPAIFLEVSLLPRSPGRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGINRCLPDGQSLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKRICTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGSKLLDFLIKSSFIGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGVVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEYVQDEFTCKACDLGWWPNADLTGCEPIPVRYLEWSNIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKAGAGNANSNGKSVSWSEPGGGQVPKGQHMWHRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDTSTKTLYNVEEEEDAQPIRFSPPGSPSMVVHRRVPSAATTPPLPSHLTAEETPLFLAEPALPKGLPPPLQQQQQPPPQQKSLMDQLQGVVSNFSTAIPDFHAVLAGPGGPGNGLRSLYPPPPPPQHLQMLPLQLSTFGEELVSPPADDDDDSERFKLLQEYVYEHEREGNTEEDELEEEEEDLQAASKLTPDDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVSYASVILRDYKQSSSTL
  
Inhibitor
Name:
BDBM50439555
Synonyms:
CHEMBL2418369
Type:
Small organic molecule
Emp. Form.:
C19H27N3O
Mol. Mass.:
313.4372
SMILES:
C[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r,wU:4.7,wD:11.11,15.17,1.0,(7.38,-10.51,;8.72,-9.76,;10.05,-10.55,;11.39,-9.8,;11.41,-8.26,;10.08,-7.47,;8.75,-8.22,;12.75,-7.51,;12.77,-5.96,;14.08,-8.29,;14.22,-9.83,;15.73,-10.15,;16.77,-11.3,;18.16,-10.67,;18,-9.15,;16.49,-8.82,;15.46,-7.67,;19.45,-11.52,;19.35,-13.06,;20.64,-13.9,;22.02,-13.2,;22.11,-11.66,;20.82,-10.81,)|
Structure:
Search PDB for entries with ligand similarity: