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Target
Glutamate receptor ionotropic, NMDA 1/2A
Ligand
BDBM50164400
Substrate
n/a
Meas. Tech.
ChEMBL_1574105 (CHEMBL3801515)
EC50
436±n/a nM
Citation
 Volgraf, M; Sellers, BD; Jiang, Y; Wu, G; Ly, CQ; Villemure, E; Pastor, RM; Yuen, PW; Lu, A; Luo, X; Liu, M; Zhang, S; Sun, L; Fu, Y; Lupardus, PJ; Wallweber, HJ; Liederer, BM; Deshmukh, G; Plise, E; Tay, S; Reynen, P; Herrington, J; Gustafson, A; Liu, Y; Dirksen, A; Dietz, MG; Liu, Y; Wang, TM; Hanson, JE; Hackos, D; Scearce-Levie, K; Schwarz, JB Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. J Med Chem 59:2760-79 (2016) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 1/2A
Synonyms:
Glutamate NMDA receptor; GRIN1/GRIN2A | Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 | NR1/NR2A
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Glutamate receptor ionotropic, NMDA 2A
Synonyms:
GRIN2A | GluN2A | Glutamate [NMDA] receptor | Glutamate [NMDA] receptor subunit epsilon 1 | Glutamate [NMDA] receptor subunit epsilon-1 | N-methyl D-aspartate receptor subtype 2A | NMDA receptor subtype 2A protein (NR2A) | NMDAR2A | NMDE1_HUMAN | NR2A | hNR2A
Type:
n/a
Mol. Mass.:
165293.76
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
1464
Sequence:
MGRVGYWTLLVLPALLVWRGPAPSAAAEKGPPALNIAVMLGHSHDVTERELRTLWGPEQAAGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSHTFVPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYREFISFVKTTVDNSFVGWDMQNVITLDTSFEDAKTQVQLKKIHSSVILLYCSKDEAVLILSEARSLGLTGYDFFWIVPSLVSGNTELIPKEFPSGLISVSYDDWDYSLEARVRDGIGILTTAASSMLEKFSYIPEAKASCYGQMERPEVPMHTLHPFMVNVTWDGKDLSFTEEGYQVHPRLVVIVLNKDREWEKVGKWENHTLSLRHAVWPRYKSFSDCEPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRSNGTVSPSAFLEPFSASVWVMMFVMLLIVSAIAVFVFEYFSPVGYNRNLAKGKAPHGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEFVDQVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTKFNQKGVEDALVSLKTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWKRQIDLALLQFVGDGEMEELETLWLTGICHNEKNEVMSSQLDIDNMAGVFYMLAAAMALSLITFIWEHLFYWKLRFCFTGVCSDRPGLLFSISRGIYSCIHGVHIEEKKKSPDFNLTGSQSNMLKLLRSAKNISSMSNMNSSRMDSPKRAADFIQRGSLIMDMVSDKGNLMYSDNRSFQGKESIFGDNMNELQTFVANRQKDNLNNYVFQGQHPLTLNESNPNTVEVAVSTESKANSRPRQLWKKSVDSIRQDSLSQNPVSQRDEATAENRTHSLKSPRYLPEEMAHSDISETSNRATCHREPDNSKNHKTKDNFKRSVASKYPKDCSEVERTYLKTKSSSPRDKIYTIDGEKEPGFHLDPPQFVENVTLPENVDFPDPYQDPSENFRKGDSTLPMNRNPLHNEEGLSNNDQYKLYSKHFTLKDKGSPHSETSERYRQNSTHCRSCLSNMPTYSGHFTMRSPFKCDACLRMGNLYDIDEDQMLQETGNPATGEQVYQQDWAQNNALQLQKNKLRISRQHSYDNIVDKPRELDLSRPSRSISLKDRERLLEGNFYGSLFSVPSSKLSGKKSSLFPQGLEDSKRSKSLLPDHTSDNPFLHSHRDDQRLVIGRCPSDPYKHSLPSQAVNDSYLRSSLRSTASYCSRDSRGHNDVYISEHVMPYAANKNNMYSTPRVLNSCSNRRVYKKMPSIESDV
  
Inhibitor
Name:
BDBM50164400
Synonyms:
CHEMBL3799694
Type:
Small organic molecule
Emp. Form.:
C15H13ClF3N5O2S
Mol. Mass.:
419.809
SMILES:
CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12
Structure:
Search PDB for entries with ligand similarity: