Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM50220716
Substrate
n/a
Meas. Tech.
ChEMBL_449356 (CHEMBL899623)
IC50
30±n/a nM
Citation
 Kawai, M; Nakamura, H; Sakurada, I; Shimokawa, H; Tanaka, H; Matsumizu, M; Ando, K; Hattori, K; Ohta, A; Nukui, S; Omura, A; Kawamura, M Discovery of novel and orally active NR2B-selective N-methyl-D-aspartate (NMDA) antagonists, pyridinol derivatives with reduced HERG binding affinity. Bioorg Med Chem Lett 17:5533-6 (2007) [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:
BDBM50220716
Synonyms:
CHEMBL236893 | N-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)-3-phenylpropanamide
Type:
Small organic molecule
Emp. Form.:
C21H25NO2
Mol. Mass.:
323.4287
SMILES:
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:7.7,wD:10.14,(-10.14,-2.71,;-8.81,-1.94,;-8.81,-.39,;-7.49,.38,;-6.15,-.39,;-6.14,-1.92,;-7.46,-2.7,;-4.81,.38,;-4.81,1.92,;-3.49,2.71,;-2.14,1.92,;-2.14,.38,;-3.49,-.39,;-.81,2.69,;.52,1.92,;.52,.38,;1.87,2.68,;3.19,1.9,;4.54,2.66,;5.86,1.89,;7.19,2.65,;7.21,4.19,;5.87,4.97,;4.54,4.2,)|
Structure:
Search PDB for entries with ligand similarity: