Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 1
Ligand
BDBM50091624
Substrate
n/a
Meas. Tech.
ChEMBL_140482 (CHEMBL747072)
IC50
1100±n/a nM
Citation
 Wright, JL; Gregory, TF; Kesten, SR; Boxer, PA; Serpa, KA; Meltzer, LT; Wise, LD; Espitia, SA; Konkoy, CS; Whittemore, ER; Woodward, RM Subtype-selective N-methyl-D-aspartate receptor antagonists: synthesis and biological evaluation of 1-(heteroarylalkynyl)-4-benzylpiperidines. J Med Chem 43:3408-19 (2000) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 1
Synonyms:
GRIN1 | Glutamate (NMDA) receptor subunit zeta 1 | Glutamate [NMDA] receptor subunit zeta-1 | Ionotropic glutamate receptor NMDA 1/2D | N-methyl-D-aspartate receptor subunit NR1 | NMDAR1 | NMDZ1_HUMAN | phencyclidine
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105397.81
Organism:
Homo sapiens (Human)
Description:
Q05586
Residue:
938
Sequence:
MSTMRLLTLALLFSCSVARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEAKELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGILGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHKDARRKQMQLAFAAVNVWRKNLQDRKSGRAEPDPKKKATFRAITSTLASSFKRRRSSKDTSTGGGRGALQNQKDTVLPRRAIEREEGQLQLCSRHRES
  
Inhibitor
Name:
BDBM50091624
Synonyms:
7-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-4H-benzo[1,4]oxazin-3-one | CHEMBL324940
Type:
Small organic molecule
Emp. Form.:
C24H26N2O2
Mol. Mass.:
374.4754
SMILES:
O=C1COc2cc(ccc2N1)C#CCCN1CCC(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: