Reaction Details  Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM50447402
Substrate
n/a
Meas. Tech.
ChEMBL_1288251 (CHEMBL3117325)
Ki
150±n/a nM
Citation
 Beinat, C; Banister, SD; Hoban, J; Tsanaktsidis, J; Metaxas, A; Windhorst, AD; Kassiou, M Structure-activity relationships of N-substituted 4-(trifluoromethoxy)benzamidines with affinity for GluN2B-containing NMDA receptors. Bioorg Med Chem Lett 24:828-30 (2014) [PubMed]  Article
Target
Name:
Glutamate receptor ionotropic, NMDA 2B
Synonyms:
GluN2B | Glutamate [NMDA] receptor subunit epsilon 2 | Grin2b | N-methyl D-aspartate receptor subtype 2B | NMDA receptor subunit N2B (GluN2B) | NMDAR2B | NMDE2_RAT | NR2B
Type:
Protein
Mol. Mass.:
166077.66
Organism:
Rattus norvegicus (Rat)
Description:
Q00960
Residue:
1482
Sequence:
MKPSAECCSPKFWLVLAVLAVSGSKARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIISENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILRLLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFSDYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSTSSIDGLYDCDNPPFTTQPRSISKKPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKRRKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTKENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHLKHGTGEKHGVVGGVPAPWEKNLTNVDWEDRSGGNFCRSCPSKLHNYSSTVAGQNSGRQACIRCEACKKAGNLYDISEDNSLQELDQPAAPVAVTSNASSTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPRSVSLKDKGRFMDGSPYAHMFEMPAGESSFANKSSVPTAGHHHNNPGSGYMLSKSLYPDRVTQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKTRPDFRALVTNKPVVVTLHGAVPGRFQKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV
  
Inhibitor
Name:
BDBM50447402
Synonyms:
CHEMBL3114911
Type:
Small organic molecule
Emp. Form.:
C17H15F3N2O
Mol. Mass.:
320.309
SMILES:
FC(F)(F)Oc1ccc(cc1)C(=N)NCC12C3C4C5C3C1C5C24 |(22.85,-30.48,;24.18,-29.7,;22.83,-28.93,;24.17,-28.16,;25.51,-30.47,;26.84,-29.69,;28.18,-30.45,;29.51,-29.67,;29.5,-28.14,;28.16,-27.38,;26.83,-28.15,;30.83,-27.37,;30.82,-25.83,;32.16,-28.13,;33.49,-27.36,;34.81,-28.11,;36.64,-27.49,;37.15,-29.38,;37.81,-29.67,;37.31,-27.77,;35.47,-28.41,;35.97,-30.3,;35.31,-30.01,)|
Structure:
Search PDB for entries with ligand similarity: