Reaction Details Report a problem with these data
Target
Transient receptor potential M8 protein
Ligand
BDBM241597
Substrate
n/a
Meas. Tech.
Functional Assay
Temperature
310.15±n/a K
IC50
16±n/a nM
Comments
extracted
Citation
 Player, MR; Calvo, R; Chen, J; Meegalla, S; Parks, DJ; Parsons, WJ; Ballentine, S; Branum, S Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators US Patent  US9409915 Publication Date 8/9/2016 
Target
Name:
Transient receptor potential M8 protein
Synonyms:
Cold-menthol receptor (TRPM8) | TRPM8 Receptor | Transient receptor potential M8 protein | Transient receptor potential M8 protein (TRPM8) | Transient receptor potential melastatin subfamily, type 8 (TRPM8)
Type:
Enzyme
Mol. Mass.:
127589.43
Organism:
Canis lupus familiaris (Dog)
Description:
Q1A7N1
Residue:
1104
Sequence:
MSFEGARLSMRNRRNGTLDSTRTLYSSTSRSTDVSYSESDLVNFIQANFKKRECVFFTKDSKATENVCKCGYAQSQHIEGTQINSNEKWNYKKHTKEFPTDAFGDIQFETLGKKGKYIRLSCDTDAETLYELLTQHWHLKTPNLVISVTGGAKNFALKPRMRKIFSRLIYIAQSKGAWILTGGTHYGLMKYIGEVVRDNTISRNSEENIVAIGIAAWGMVSNRDTLLRNCDAEGYFSAQYIMDDFKRDPLYILDNNHTHLLLVDNGCHGHPTVEAKLRNQLEKYISERTIQDSNYGGKIPIVCFAQGGGRETLKAINTSIKSKIPCVVVEGSGQIADVIASLVEVEDVLTSSVVKEKLVRFLPRTVSRLPEEETESWIKWLKEILESSHLLTVIKMEEAGDEIVSNAISYALYKAFSTNEQDKDNWNGQLKLLLEWNQLDLANEEIFTNDRRWESADLQEVMFTALIKDRPKFVRLFLENGLNLRKFLTNDVLTELFSNHFSTLVYRNLQIAKNSYNDALLTFVWKLVANFRRGFRKEDRSSRDDIDVELHDVSPITRHPLQALFIWAILQNKKELSKVIWEQTRGCTLAALGASKLLKTLAKVKNDINAAGESEELANEYETRAVELFTECYSSDEDLAEQLLVYSCEAWGGSNCLELAVEATDQHFIAQPGVQNFLSKQWYGEISRDTKNWKIILCLFIIPLVGCGFVSFRKKPIDKHKKILWYYVAFFTSPFVVFAWNVVFYIAFLLLFAYVLLMDFHSVPHSPELVLYALVFVLFCDEVRQWYMNGVNYFTDLWNVMDTLGLFYFIAGIVFRLHPSNKTSLYSGRVIFCLDYIIFTLRLIHIFTVSRNLGPKIIMLQRMLIDVFFFLFLFAVWMVAFGVARQGILRQNEHRWRWIFRSVIYEPYLAMFGQVPSDVDGTTYDFAHCTFTGNESKPLCVELDEHNLPRFPEWITIPLVCIYMLSTNILLVNLLVAMFGYTVGTVQENNDQVWKFQRYFLVQEYCNRLNIPFPFVVFAYFYMVVKKCFGCCCREKHAEPSACCFRNEDNETLAWEGVMKENYLVKINTKANDTSQEMRHRFRQLDTKINDLKGLLKEIANKIK
  
Inhibitor
Name:
BDBM241597
Synonyms:
US9409915, 5 | US9718820, Compound 5
Type:
Small organic molecule
Emp. Form.:
C21H17Cl2F3N5Na
Mol. Mass.:
490.284
SMILES:
Cn1nc(c(Cl)c1-c1nc2nc(cc(Cl)c2n1[Na])-c1ccccc1C(F)(F)F)C(C)(C)C |(-4.07,-3.68,;-4.54,-2.22,;-6.01,-1.74,;-6.01,-.2,;-4.54,.27,;-4.07,1.74,;-3.64,-.97,;-2.1,-.97,;-1.19,.27,;.27,-.2,;1.61,.57,;2.94,-.2,;2.94,-1.74,;1.61,-2.51,;1.61,-4.05,;.27,-1.74,;-1.19,-2.22,;-1.67,-3.68,;4.27,.57,;5.61,-.2,;6.94,.57,;6.94,2.11,;5.61,2.88,;4.27,2.11,;2.94,2.88,;1.61,3.65,;3.71,4.21,;2.17,1.54,;-7.25,.7,;-8.5,1.61,;-6.35,1.95,;-8.16,-.54,)|
Structure:
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