Ki Summary

Reaction Details

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Target

Glutamate receptor ionotropic, NMDA 2B

Ligand

BDBM50269781

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_1707178

IC50

6.3±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 Lett27:4194-4198 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Glutamate receptor ionotropic, NMDA 2B

Name:

Glutamate receptor ionotropic, NMDA 2B

Synonyms:

Type:

PROTEIN

Mol. Mass.:

165965.49

Organism:

Mus musculus

Description:

ChEMBL_117725

Residue:

1482

Sequence:

MKPSAECCSPKFWLVLAVLAVSGSKARSQKSAPSIGIAVILVGTSDEVAIKDAHEKDDFH
HLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVLADDTDQEAIAQILDFISAQTL
TPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQ
DFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYI
FEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYDEWDYGLPARVRDGIAII
TTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHP
KLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVE
SVDPLSGTCMRNTVPCQKRIISENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYL
VTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSR
SNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSF
TIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYV
DQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLS
LKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAI
LQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEH
LFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILR
LLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFS
DYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSTSSIDGLYDCDNPPFTTQPRSISK
KPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKR
RKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTK
ENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHLKHGTGDKHGVVGGVPAPWEKN
LTNVDWEDRSGGNFCRSCPSKLHNYSSTVAGQNSGRQACIRCEACKKAGNLYDISEDNSL
QELDQPAAPVAVSSNASTTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPR
SVSLKDKGRFMDGSPYAHMFEMPAGESSFANKSSVTTAGHHHNNPGSGYMLSKSLYPDRV
TQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKTRPDFRALVTNKPVVSALHGAVPGRF
QKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV

BDBM50269781

n/a

Name

BDBM50269781

Synonyms:

CHEMBL4064453

Type

Small organic molecule

Emp. Form.

C23H23F3N2O4

Mol. Mass.

448.4349

SMILES

O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;21.45,-10.94,;20.12,-11.71,;24.13,-10.94,;25.46,-11.71,;24.13,-9.4,;25.46,-10.16,;16.13,-14,;14.8,-13.24,)|

Structure