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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ 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

Ligand

Name	BHPI
Molecular formula	C21H17NO3
IUPAC name	3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Molecular weight	331.371
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.6
Synonyms	3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one AC1MYQB4 FABLAHMQSQFDHR-UHFFFAOYSA-N NCGC00408892-01 3,3-bis-(4-hydroxy-phenyl)-7-methyl-2-indolinone AS-16880 CS-4205 KS-00001D1Q SMR000194821 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl- Cambridge id 6373538 DTXSID00397487 MLS000573319 ZINC4302867 3,3-bis(4-hydroxyphenyl)-7-methyl-oxindole AKOS000350526 CHEMBL394883 HMS2153B10 REGID_for_CID_3860640 3,3-bis-(4-hydroxyphenyl)-7-methyl-2 -indolinone BDBM61491 CTK1F4188 MCULE-6280329543 SR-01000502745 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one AB00105948-01 CCG-21503 EU-0079779 MolPort-001-667-514 3,3-bis(4-hydroxyphenyl)-7-methylindolin-2-one AOB5365 cid_3860640 HY-12825 SCHEMBL5478375 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl-2H-indol-2-one 56632-39-4 DNDI1417434 MLS-0096071.0001 SR-01000502745-1 [ Show all ]
Inchi Key	FABLAHMQSQFDHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
PubChem CID	3860640
ChEMBL	CHEMBL394883
IUPHAR	N/A
BindingDB	61491
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	31300.0 nM	PubChem BioAssay data set	ChEMBL

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