Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM50203325
Substrate
n/a
Meas. Tech.
ChEMBL_425253 (CHEMBL856830)
Ki
23±n/a nM
Citation
 Liverton, NJ; Bednar, RA; Bednar, B; Butcher, JW; Claiborne, CF; Claremon, DA; Cunningham, M; DiLella, AG; Gaul, SL; Libby, BE; Lyle, EA; Lynch, JJ; McCauley, JA; Mosser, SD; Nguyen, KT; Stump, GL; Sun, H; Wang, H; Yergey, J; Koblan, KS Identification and characterization of 4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate, an orally bioavailable, brain penetrant NR2B selective N-methyl-D-aspartate receptor antagonist. J Med Chem 50:807-19 (2007) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 2B
Synonyms:
GRIN2B | GluN2B | Glutamate [NMDA] receptor subunit epsilon 2 | Glutamate [NMDA] receptor subunit epsilon-2 | N-methyl D-aspartate receptor subtype 2B | N-methyl-D-aspartate receptor subunit 3 | NMDAR2B | NMDE2_HUMAN | NR3 | hNR3
Type:
PROTEIN
Mol. Mass.:
166375.46
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438829
Residue:
1484
Sequence:
MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPAEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIVTENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILRLLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFSDYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSASSIDGLYDCDNPPFTTQSRSISKKPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKRRKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTKENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHIKHGTGDKHGVVSGVPAPWEKNLTNVEWEDRSGGNFCRSCPSKLHNYSTTVTGQNSGRQACIRCEACKKAGNLYDISEDNSLQELDQPAAPVAVTSNASTTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPRSVSLKDKGRFMDGSPYAHMFEMSAGESTFANNKSSVPTAGHHHHNNPGGGYMLSKSLYPDRVTQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKARPDFRALVTNKPVVSALHGAVPARFQKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV
  
Inhibitor
Name:
BDBM50203325
Synonyms:
2,3-dihydro-1H-inden-2-yl 4-[(pyrimidin-2-ylamino)methyl]-piperidine-1-carboxylate | CHEMBL221133
Type:
Small organic molecule
Emp. Form.:
C20H24N4O2
Mol. Mass.:
352.4302
SMILES:
O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1
Structure:
Search PDB for entries with ligand similarity: