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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 | MLS-0435530.0001 |
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Molecular formula | C27H38N4O3S |
IUPAC name | N,N-diethyl-4-(4-methylpiperidin-1-yl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide |
Molecular weight | 498.686 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.3 |
Synonyms | N,N-diethyl-4-(4-methylpiperidin-1-yl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide CHEMBL1711005 N,N-diethyl-4-(4-methyl-1-piperidinyl)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]benzenesulfonamide BDBM68304 N,N-diethyl-4-(4-methylpiperidino)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide [ Show all ] |
Inchi Key | DXTSJXPAIJCYKQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H38N4O3S/c1-4-31(5-2)35(33,34)24-11-12-26(29-15-13-22(3)14-16-29)25(21-24)27(32)30-19-17-28(18-20-30)23-9-7-6-8-10-23/h6-12,21-22H,4-5,13-20H2,1-3H3 |
PubChem CID | 16233035 |
ChEMBL | CHEMBL1711005 |
IUPHAR | N/A |
BindingDB | 68304 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <32000.0 nM | PubChem BioAssay data set | ChEMBL |
IC50 | <32000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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