Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM521609
Substrate
n/a
Meas. Tech.
Whole-Cell Patch Clamp of Mammalian Cells (Ionworks Barracuda (IWB))
EC50
130±n/a nM
Citation
 Salituro, FG; Robichaud, AJ; Martinez Botella, G; Harrison, BL; Griffin, A Oxysterols and methods of use thereof US Patent  US11149054 Publication Date 10/19/2021 
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:
BDBM521609
Synonyms:
US11149054, Compound 4657
Type:
Small organic molecule
Emp. Form.:
C32H53F3O3
Mol. Mass.:
542.7566
SMILES:
COC[C@H]1CC[C@](O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CC[C@]5(C)[C@H]4CC[C@]23C)C(F)(F)F)CC1 |r,wU:19.19,27.29,15.14,21.21,25.26,12.11,6.7,30.34,wD:16.16,21.35,10.10,6.6,3.2,(10.02,-1.37,;8.93,-.28,;7.44,-.68,;6.35,.41,;6.75,1.9,;5.66,2.99,;4.17,2.59,;4.17,4.13,;2.67,2.27,;1.64,3.41,;.13,3.09,;-.9,4.24,;-.34,1.63,;.56,.38,;-.34,-.86,;-1.81,-.39,;-3.14,-1.16,;-3.14,-2.7,;-4.48,-3.47,;-5.81,-2.7,;-7.14,-3.47,;-8.48,-2.7,;-9.57,-3.79,;-8.48,-1.16,;-7.14,-.39,;-5.81,-1.16,;-5.81,.38,;-4.48,-.39,;-4.48,1.15,;-3.14,1.92,;-1.81,1.15,;-1.65,2.68,;-10.02,-2.7,;-10.79,-1.36,;-10.79,-4.03,;-11.56,-2.7,;3.78,1.1,;4.86,.01,)|
Structure:
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