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TargetCannabinoid receptor 1
LigandBDBM50042886
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1444652 (CHEMBL3376650)
EC50>20000±n/a nM
Citation Bartolozzi, ACirillo, PFBerry, AKHickey, ERThomson, DSWu, LZindell, RAlbrecht, CCeci, AGemkow, MJNagaraja, NVRomig, HSauer, ARiether, D Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model. Bioorg Med Chem Lett25:587-92 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cannabinoid receptor 1
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:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50042886
n/a
NameBDBM50042886
Synonyms:CHEMBL3354542
TypeSmall organic molecule
Emp. Form.C20H31N3O4
Mol. Mass.377.4778
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:10.9,18.18,wD:21.22,(49.92,-45,;49.15,-43.66,;49.92,-42.33,;50.67,-43.82,;47.61,-43.66,;46.71,-42.41,;45.25,-42.89,;43.91,-42.11,;42.58,-42.88,;42.58,-44.42,;41.24,-42.11,;41.24,-40.57,;39.92,-39.79,;38.59,-40.57,;38.59,-42.11,;39.92,-42.87,;39.91,-44.41,;41.25,-45.18,;38.58,-45.18,;38.59,-46.71,;37.26,-47.49,;35.92,-46.71,;34.59,-47.49,;35.92,-45.17,;37.25,-44.4,;45.24,-44.43,;46.7,-44.91,)|
Structure
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