Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 1/2C
Ligand
BDBM50509842
Substrate
n/a
Meas. Tech.
ChEMBL_1839407 (CHEMBL4339622)
IC50
2400±n/a nM
Citation
 Summer, SL; Kell, SA; Zhu, Z; Moore, R; Liotta, DC; Myers, SJ; Koszalka, GW; Traynelis, SF; Menaldino, DS Di-aryl Sulfonamide Motif Adds ?-Stacking Bulk in Negative Allosteric Modulators of the NMDA Receptor. ACS Med Chem Lett 10:248-254 (2019) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 1/2C
Synonyms:
Glutamate NMDA receptor; Grin1/Grin2c | Glutamate [NMDA] receptor subunit epsilon 3/zeta 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 141029
Components:
This complex has 2 components.
Component 1
Name:
Glutamate receptor ionotropic, NMDA 1
Synonyms:
Glutamate (NMDA) receptor subunit zeta 1 | Glutamate [NMDA] receptor subunit zeta-1 | Glutamate-NMDA-Channel | Glutamate-NMDA-MK801 | Glutamate-NMDA-Polyamine | Grin1 | NMDA | NMDZ1_RAT | Nmdar1 | phencyclidine
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105533.40
Organism:
RAT
Description:
P35439
Residue:
938
Sequence:
MSTMHLLTFALLFSCSFARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYNWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEARELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGIIGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHKDARRKQMQLAFAAVNVWRKNLQDRKSGRAEPDPKKKATFRAITSTLASSFKRRRSSKDTSTGGGRGALQNQKDTVLPRRAIEREEGQLQLCSRHRES
  
Component 2
Name:
Glutamate receptor ionotropic, NMDA 2C
Synonyms:
Glutamate NMDA receptor; Grin1/Grin2c | Glutamate receptor ionotropic, NMDA 2C | Grin2c | NMDA receptor subunit 2C (GluN2C) | NMDE3_RAT
Type:
Protein
Mol. Mass.:
135305.94
Organism:
Rattus norvegicus (Rat)
Description:
Q00961
Residue:
1237
Sequence:
MGGALGPALLLTSLLGAWARLGAGQGEQAVTVAVVFGSSGPLQTQARTRLTSQNFLDLPLEIQPLTVGVNNTNPSSILTQICGLLGAARVHGIVFEDNVDTEAVAQLLDFVSSQTHVPILSISGGSAVVLTPKEPGSAFLQLGVSLEQQLQVLFKVLEEYDWSAFAVITSLHPGHALFLEGVRAVADASYLSWRLLDVLTLELGPGGPRARTQRLLRQVDAPVLVAYCSREEAEVLFAEAAQAGLVGPGHVWLVPNLALGSTDAPPAAFPVGLISVVTESWRLSLRQKVRDGVAILALGAHSYRRQYGTLPAPAGDCRSHPGPVSPAREAFYRHLLNVTWEGRDFSFSPGGYLVRPTMVVIALNRHRLWEMVGRWDHGVLYMKYPVWPRYSTSLQPVVDSRHLTVATLEERPFVIVESPDPGTGGCVPNTVPCRRQSNHTFSSGDLTPYTKLCCKGFCIDILKKLAKVVKFSYDLYLVTNGKHGKRVRGVWNGMIGEVYYKRADMAIGSLTINEERSEIIDFSVPFVETGISVMVSRSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAITVFMFEYFSPVSYNQNLTKGKKPGGPSFTIGKSVWLLWALVFNNSVPIENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEQYIDTVSGLSDKKFQRPQDQYPPFRFGTVPNGSTERNIRSNYRDMHTHMVKFNQRSVEDALTSLKMGKLDAFIYDAAVLNYMAGKDEGCKLVTIGSGKVFATTGYGIAMQKDSHWKRAIDLALLQLLGDGETQKLETVWLSGICQNEKNEVMSSKLDIDNMAGVFYMLLVAMGLALLVFAWEHLVYWKLRHSVPNSSQLDFLLAFSRGIYSCFNGVQSLPSPARPPSPDLTADSAQANVLKMLQAARDMVNTADVSSSLDRATRTIENWGNNRRVPAPTASGPRSSTPGPPGQPSPSGWGPPGGGRTPLARRAPQPPARPATCGPPLPDVSRPSCRHASDARWPVRVGHQGPHVSASERRALPERSLLPAHCHYSSFPRAERSGRPYLPLFPEPPEPDDLPLLGPEQLARREAMLRAAWARGPRPRHASLPSSVAEAFTRSNPLPARCTGHACACPCPQSRPSCRHLAQAQSLRLPSYPEACVEGVPAGVATWQPRQHVCLHAHTRLPFCWGTVCRHPPPCTSHSPWLIGTWEPPAHRVRTLGLGTGYRDSGVLEEVSREACGTQGFPRSCTWRRVSSLESEV
  
Inhibitor
Name:
BDBM50509842
Synonyms:
CHEMBL4468229
Type:
Small organic molecule
Emp. Form.:
C26H27ClFN3O5S
Mol. Mass.:
548.026
SMILES:
CCN(CC)C(=O)Oc1ccc(cc1)C(=O)Nc1cccc(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)c1
Structure:
Search PDB for entries with ligand similarity: