Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50354805
Substrate
n/a
Meas. Tech.
ChEMBL_771756 (CHEMBL1838498)
Ki
21±n/a nM
Citation
 Fulp, A; Bortoff, K; Zhang, Y; Seltzman, H; Snyder, R; Maitra, R Towards rational design of cannabinoid receptor 1 (CB1) antagonists for peripheral selectivity. Bioorg Med Chem Lett 21:5711-4 (2011) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50354805
Synonyms:
CHEMBL1834020
Type:
Small organic molecule
Emp. Form.:
C25H28Cl3N5O3S
Mol. Mass.:
584.946
SMILES:
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)|
Structure:
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