Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 1/2D
Ligand
BDBM50238356
Substrate
n/a
Meas. Tech.
ChEMBL_1663149 (CHEMBL4012830)
EC50
1200±n/a nM
Citation
 Strong, KL; Epplin, MP; Bacsa, J; Butch, CJ; Burger, PB; Menaldino, DS; Traynelis, SF; Liotta, DC The Structure-Activity Relationship of a Tetrahydroisoquinoline Class of N-Methyl-d-Aspartate Receptor Modulators that Potentiates GluN2B-Containing N-Methyl-d-Aspartate Receptors. J Med Chem 60:5556-5585 (2017) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 1/2D
Synonyms:
Ionotropic glutamate receptor NMDA 1/2D
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 968983
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 2D
Synonyms:
GluN2D | Glutamate [NMDA] receptor subunit epsilon 4 | Grin2d | N-methyl D-aspartate receptor subtype 2D | NMDAR2D | NMDE4_RAT
Type:
Protein
Mol. Mass.:
143129.52
Organism:
Rattus norvegicus (Rat)
Description:
Q62645
Residue:
1323
Sequence:
MRGAGGPRGPRGPAKMLLLLALACASPFPEEVPGPGAVGGGTGGARPLNVALVFSGPAYAAEAARLGPAVAAAVRSPGLDVRPVALVLNGSDPRSLVLQLCDLLSGLRVHGVVFEDDSRAPAVAPILDFLSAQTSLPIVAVHGGAALVLTPKEKGSTFLQLGSSTEQQLQVIFEVLEEYDWTSFVAVTTRAPGHRAFLSYIEVLTDGSLVGWEHRGALTLDPGAGEAVLGAQLRSVSAQIRLLFCAREEAEPVFRAAEEAGLTGPGYVWFMVGPQLAGGGGSGVPGEPLLLPGGSPLPAGLFAVRSAGWRDDLARRVAAGVAVVARGAQALLRDYGFLPELGHDCRTQNRTHRGESLHRYFMNITWDNRDYSFNEDGFLVNPSLVVISLTRDRTWEVVGSWEQQTLRLKYPLWSRYGRFLQPVDDTQHLTVATLEERPFVIVEPADPISGTCIRDSVPCRSQLNRTHSPPPDAPRPEKRCCKGFCIDILKRLAHTIGFSYDLYLVTNGKHGKKIDGVWNGMIGEVFYQRADMAIGSLTINEERSEIVDFSVPFVETGISVMVARSNGTVSPSAFLEPYSPAVWVMMFVMCLTVVAVTVFIFEYLSPVGYNRSLATGKRPGGSTFTIGKSIWLLWALVFNNSVPVENPRGTTSKIMVLVWAFFAVIFLASYTANLAAFMIQEEYVDTVSGLSDRKFQRPQEQYPPLKFGTVPNGSTEKNIRSNYPDMHSYMVRYNQPRVEEALTQLKAGKLDAFIYDAAVLNYMARKDEGCKLVTIGSGKVFATTGYGIALHKGSRWKRPIDLALLQFLGDDEIEMLERLWLSGICHNDKIEVMSSKLDIDNMAGVFYMLLVAMGLSLLVFAWEHLVYWRLRHCLGPTHRMDFLLAFSRGMYSCCSAEAAPPPAKPPPPPQPLPSPAYPAARPPPGPAPFVPRERAAADRWRRAKGTGPPGGAAIADGFHRYYGPIEPQGLGLGEARAAPRGAAGRPLSPPTTQPPQKPPPSYFAIVREQEPTEPPAGAFPGFPSPPAPPAAAAAAVGPPLCRLAFEDESPPAPSRWPRSDPESQPLLGGGAGGPSAGAPTAPPPRRAAPPPCAYLDLEPSPSDSEDSESLGGASLGGLEPWWFADFPYPYAERLGPPPGRYWSVDKLGGWRAGSWDYLPPRGGPAWHCRHCASLELLPPPRHLSCSHDGLDGGWWAPPPPPWAAGPPPRRRARCGCPRPHPHRPRASHRAPAAAPHHHRHRRAAGGWDFPPPAPTSRSLEDLSSCPRAAPTRRLTGPSRHARRCPHAAHWGPPLPTASHRRHRGGDLGTRRGSAHFSSLESEV
  
Inhibitor
Name:
BDBM50238356
Synonyms:
CHEMBL4062279
Type:
Small organic molecule
Emp. Form.:
C29H32FNO3S
Mol. Mass.:
493.633
SMILES:
CC(C)Oc1ccc(OCC2N(CCc3cc(OC(C)C)ccc23)C(=S)c2cccc(F)c2)cc1
Structure:
Search PDB for entries with ligand similarity: