Structure of PDB 9b6e Chain A Binding Site BS02

Receptor Information
>9b6e Chain A (length=929) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVNFIQANFDAFGDIQFGKYLRLSCDTDSETLYELLTQHWHLKTPNLVI
SVTGGAKNFALKPRMRKIFSRLIYIAQSKGAWILTGGTHYGLMKYIGEVV
RDNTISENIVAIGIAAWGMVSNRDTLFSAQYIMLYILDNNHTHLLLVDNG
CHGHPTVEAKLRNQLEKYISERTSQDSNYGGKIPIVCFAQGGGRETLKAI
NTSVKSKIPCVVVEGSGQIADVIASLVTSSMVKEKLVRFLPRTVSRLPEE
EIESWIKWLKEILESSHLLTVIKMEEAGDEIVSNAISYALYKAFSTNEQD
KDNWNGQLKLLLEWNQLDLASDEIFTNDRRWESADLQEVMFTALIKDRPK
FVRLFLENGLNLQKFLTNEVLTELFSTHFSTLVYRNLQIAKNSYNDALLT
FVWKLVANFRRSTRHPLQALFIWAILQNKKELSKVIWEQTKGCTLAALGA
SKLLKTLAKVKNDINAAGESEELANEYETRAVELFTECYSNDEDLAEQLL
VYSCEAWGGSNCLELAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNWK
IILCLFIIPLVGCGLVSFRKLWYYVAFFTSPFVVFSWNVVFYIAFLLLFA
YVLLMDFHSVPHTPELILYALVFVLFCDEVRQWYMNGVNYFTDLWNVMDT
LGLFYFIAGIVFRLHSSNKSSLYSGRVIFCLDYIIFTLRLIHIFTVSRNL
GPKIIMLQRMLIDVFFFLFLFAVWMVAFGVARQGILRQNEQRWRWIFRSV
IYEPYLAMFGQVPSDVDSTTYDFSHCTFSGNESKPLCVELDEHNLPRFPE
WITIPLVCIYMLSTNILLVNLLVAMFGYTVGIVQENNDQVWKFQRYFLVQ
EYCNRLNIPFPFVVFAYFYMVVKKNETLAWEGVMKENYLVKINTKANDNS
EEMRHRFRQLDSKLNDLKSLLKEIANNIK
Ligand information
Ligand IDT14
InChIInChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
InChIKeyVSMFCZZEKTVDHM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1cc(cc2nc([nH]c12)C3=NOC4(CCCCC4)C3)c5ccccc5C(F)(F)F
ACDLabs 12.01C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F
FormulaC23 H19 F6 N3 O
Name3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
ChEMBLCHEMBL1650511
DrugBank
ZINCZINC000066100415
PDB chain9b6e Chain D Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9b6e Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		W877 S966
Binding residue
(residue number reindexed from 1)		W724 S813
Annotation score1
External links
PDB RCSB:9b6e, PDBe:9b6e, PDBj:9b6e
PDBsum9b6e
PubMed39093967
UniProtQ8R4D5|TRPM8_MOUSE Transient receptor potential cation channel subfamily M member 8 (Gene Name=Trpm8)

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