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Name | Cannabinoid receptor 1 |
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Species | Homo sapiens (Human) |
Gene | CNR1 |
Synonym | CB1 Central cannabinoid receptor SKR6R THC receptor CB1R [ Show all ] |
Disease | Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity [ Show all ] |
Length | 472 |
Amino acid sequence | MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL |
UniProt | P21554 |
Protein Data Bank | 5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz |
GPCR-HGmod model | P21554 |
3D structure model | This structure is from PDB ID 5tjv. |
BioLiP | BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446 |
Therapeutic Target Database | T76685 |
ChEMBL | CHEMBL218 |
IUPHAR | 56 |
DrugBank | BE0000061 |
Name | CHEMBL108868 |
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Molecular formula | C27H40O2 |
IUPAC name | (6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol |
Molecular weight | 396.615 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 8.6 |
Synonyms | 3-(1-Hexyl-cyclopentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol (6ar)-(trans)-3-(1-hexylcyclopentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6h-dibenzo[b,d]pyran-1-ol (6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol BDBM50130623 |
Inchi Key | FONCHEGPDSYFCG-FGZHOGPDSA-N |
Inchi ID | InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1 |
PubChem CID | 10982174 |
ChEMBL | CHEMBL108868 |
IUPHAR | N/A |
BindingDB | 50130623 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 0.4467 nM | PMID17521177, PMID17980589 | ChEMBL |
Ki | 0.45 nM | PMID17521177 | BindingDB,ChEMBL |
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