Structure of PDB 9b6g Chain A Binding Site BS04

Receptor Information
>9b6g Chain A (length=915) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVNFIQANFDAFGDIQFGKYLRLSCDTDSETLYELLTQHWHLKTPNLVI
SVTGGAKNFALKPRMRKIFSRLIYIAQSKGAWILTGGTHYGLMKYIGEVV
RDNTISENIVAIGIAAWGMVSNRDTLFSAQYIMILDNNHTHLLLVAKLRN
QLEKYISERTSQDSNYGGKIPIVCFAQGGGRETLKAINTSVKSKIPCVVV
EGSGQIADVIASLVTSSMVKEKLVRFLPRTVSRLPEEEIESWIKWLKEIL
ESSHLLTVIKMEEAGDEIVSNAISYALYKAFSTNEQDKDNWNGQLKLLLE
WNQLDLASDEIFTNDRRWESADLQEVMFTALIKDRPKFVRLFLENGLNLQ
KFLTNEVLTELFSTHFSTLVYRNLQIAKNSYNDALLTFVWKLVANFRRTR
HPLQALFIWAILQNKKELSKVIWEQTKGCTLAALGASKLLKTLAKVKNDI
NAAGESEELANEYETRAVELFTECYSNDEDLAEQLLVYSCEAWGGSNCLE
LAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNWKIILCLFIIPLVGCG
LVSFRKLWYYVAFFTSPFVVFSWNVVFYIAFLLLFAYVLLMDFHSVPHTP
ELILYALVFVLFCDEVRQWYMNGVNYFTDLWNVMDTLGLFYFIAGIVFRL
HSSNKSSLYSGRVIFCLDYIIFTLRLIHIFTVSRNLGPKIIMLQRMLIDV
FFFLFLFAVWMVAFGVARQGILRQNEQRWRWIFRSVIYEPYLAMFGQVPS
DVDSTTYDFSHCTFSGNESKPLCVELDEHNLPRFPEWITIPLVCIYMLST
NILLVNLLVAMFGYTVGIVQENNDQVWKFQRYFLVQEYCNRLNIPFPFVV
FAYFYMVVKKNETLAWEGVMKENYLVKINTKANDNSEEMRHRFRQLDSKL
NDLKSLLKEIANNIK
Ligand information
Ligand IDLQ7
InChIInChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3
InChIKeyLCQJRANJHOEQFG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3)CCCN
OpenEye OEToolkits 2.0.7Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3
CACTVS 3.385Cc1cccc(COc2ccccc2C(=O)N(CCCN)Cc3sccc3)c1
FormulaC23 H26 N2 O2 S
NameN-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
ChEMBLCHEMBL1289953
DrugBank
ZINCZINC000035076019
PDB chain9b6g Chain A Residue 1204 [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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PDB9b6g Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		N741 L778 E782 D802 F839 R842 Y1005 R1008 F1013
Binding residue
(residue number reindexed from 1)		N574 L611 E615 D635 F672 R675 Y838 R841 F846
Annotation score1
External links
PDB RCSB:9b6g, PDBe:9b6g, PDBj:9b6g
PDBsum9b6g
PubMed39093967
UniProtQ8R4D5|TRPM8_MOUSE Transient receptor potential cation channel subfamily M member 8 (Gene Name=Trpm8)

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