Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily V member 1
Ligand
BDBM642142
Substrate
n/a
Meas. Tech.
TRPV1 Inhibition Assay
IC50
0.150±n/a nM
Citation
 Liu, D; Papillon, J; Peukert, S; Powers, JJ 1,3-substituted cyclobutyl derivatives and uses thereof US Patent  US11845730 Publication Date 12/19/2023 
Target
Name:
Transient receptor potential cation channel subfamily V member 1
Synonyms:
Capsaicin receptor | OTRPC1 | Osm-9-like TRP channel 1 | TRPV1 | TRPV1_HUMAN | Transient receptor potential cation channel subfamily V member 1 | Transient receptor potential cation channel subfamily V member 1 (TRPV1) | Transient receptor potential cation channel subfamily V member 1 (VR1/TRPV1) | Transient receptor potential cation channel subfamily V member 1(TRPV1) | VR1 | Vanilloid VR1 | Vanilloid receptor | Vanilloid receptor 1 | Vanilloid receptor 1 (TrpV1/Vr1) | Vanilloid receptor 1 (VRI/TRPV1)
Type:
Protein
Mol. Mass.:
94960.75
Organism:
Homo sapiens (Human)
Description:
Q8NER1
Residue:
839
Sequence:
MKKWSSTDLGAAADPLQKDTCPDPLDGDPNSRPPPAKPQLSTAKSRTRLFGKGDSEEAFPVDCPHEEGELDSCPTITVSPVITIQRPGDGPTGARLLSQDSVAASTEKTLRLYDRRSIFEAVAQNNCQDLESLLLFLQKSKKHLTDNEFKDPETGKTCLLKAMLNLHDGQNTTIPLLLEIARQTDSLKELVNASYTDSYYKGQTALHIAIERRNMALVTLLVENGADVQAAAHGDFFKKTKGRPGFYFGELPLSLAACTNQLGIVKFLLQNSWQTADISARDSVGNTVLHALVEVADNTADNTKFVTSMYNEILMLGAKLHPTLKLEELTNKKGMTPLALAAGTGKIGVLAYILQREIQEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFLVYCLYMIIFTMAAYYRPVDGLPPFKMEKTGDYFRVTGEILSVLGGVYFFFRGIQYFLQRRPSMKTLFVDSYSEMLFFLQSLFMLATVVLYFSHLKEYVASMVFSLALGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYIVFLFGFSTAVVTLIEDGKNDSLPSESTSHRWRGPACRPPDSSYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGYTPDGKDDYRWCFRVDEVNWTTWNTNVGIINEDPGNCEGVKRTLSFSLRSSRVSGRHWKNFALVPLLREASARDRQSAQPEEVYLRQFSGSLKPEDAEVFKSPAASGEK
  
Inhibitor
Name:
BDBM642142
Synonyms:
US11845730, Example 69
Type:
Small organic molecule
Emp. Form.:
C22H18F5N3O2
Mol. Mass.:
451.3892
SMILES:
Nc1cc2c(CC(=O)N[C@H]3C[C@@H](C3)Oc3ccc(F)c(c3)C(F)(F)F)c(F)ccc2cn1 |r,wU:9.8,wD:11.13,(-8.96,-2.34,;-7.62,-3.11,;-6.29,-2.34,;-4.95,-3.11,;-3.62,-2.34,;-3.62,-.8,;-2.29,-.03,;-.95,-.8,;-2.29,1.51,;-.95,2.28,;-.56,3.76,;.93,3.37,;.53,1.88,;2.27,4.14,;3.6,3.37,;3.58,1.83,;4.9,1.04,;6.24,1.79,;7.57,1,;6.31,3.35,;4.94,4.12,;7.66,4.11,;9,4.86,;6.91,5.45,;8.41,2.76,;-2.29,-3.11,;-.95,-2.34,;-2.29,-4.65,;-3.62,-5.42,;-4.95,-4.65,;-6.29,-5.42,;-7.62,-4.65,)|
Structure:
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