Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM50269784
Substrate
n/a
Meas. Tech.
ChEBML_1707178
IC50
16±n/a nM
Citation
 Anan, K; Masui, M; Hara, S; Ohara, M; Kume, M; Yamamoto, S; Shinohara, S; Tsuji, H; Shimada, S; Yagi, S; Hasebe, N; Kai, H Discovery of orally bioavailable cyclohexanol-based NR2B-selective NMDA receptor antagonists with analgesic activity utilizing a scaffold hopping approach. Bioorg Med Chem Lett 27:4194-4198 (2017) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 2B
Synonyms:
GluN2B | Glutamate [NMDA] receptor subunit epsilon-2 | Glutamate receptor ionotropic, NMDA 2B | Grin2b | Ionotropic glutamate receptor NMDA1/2B | N-methyl D-aspartate receptor subtype 2B | NMDAR2B | NMDE2_MOUSE | NR2B
Type:
PROTEIN
Mol. Mass.:
165965.49
Organism:
Mus musculus
Description:
ChEMBL_117725
Residue:
1482
Sequence:
MKPSAECCSPKFWLVLAVLAVSGSKARSQKSAPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVLADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIISENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILRLLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFSDYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSTSSIDGLYDCDNPPFTTQPRSISKKPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKRRKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTKENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHLKHGTGDKHGVVGGVPAPWEKNLTNVDWEDRSGGNFCRSCPSKLHNYSSTVAGQNSGRQACIRCEACKKAGNLYDISEDNSLQELDQPAAPVAVSSNASTTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPRSVSLKDKGRFMDGSPYAHMFEMPAGESSFANKSSVTTAGHHHNNPGSGYMLSKSLYPDRVTQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKTRPDFRALVTNKPVVSALHGAVPGRFQKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV
  
Inhibitor
Name:
BDBM50269784
Synonyms:
CHEMBL4104737
Type:
Small organic molecule
Emp. Form.:
C22H23FN2O4
Mol. Mass.:
398.4274
SMILES:
O[C@@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wU:18.20,wD:1.0,(13.05,-7.68,;13.82,-9.01,;12.28,-9.01,;11.51,-10.35,;12.28,-11.68,;9.97,-10.35,;9.2,-11.68,;9.98,-13.01,;9.21,-14.34,;7.67,-14.34,;6.64,-15.49,;5.22,-14.87,;3.89,-15.64,;5.38,-13.33,;6.89,-13.01,;7.67,-11.68,;13.82,-10.55,;15.15,-11.32,;16.48,-10.55,;17.81,-11.33,;19.15,-10.56,;20.48,-11.33,;21.81,-10.57,;21.81,-9.02,;23.15,-8.25,;20.47,-8.25,;19.14,-9.02,;16.48,-9.01,;15.15,-8.24,)|
Structure:
Search PDB for entries with ligand similarity: