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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Mas-related G-protein coupled receptor member X2
Species	Homo sapiens (Human)
Gene	MRGPRX2
Synonym	Mrgprb10 MRGPRX2 MRGX2
Disease	N/A
Length	330
Amino acid sequence	MDPTTPAWGTESTTVNGNDQALLLLCGKETLIPVFLILFIALVGLVGNGFVLWLLGFRMRRNAFSVYVLSLAGADFLFLCFQIINCLVYLSNFFCSISINFPSFFTTVMTCAYLAGLSMLSTVSTERCLSVLWPIWYRCRRPRHLSAVVCVLLWALSLLLSILEGKFCGFLFSDGDSGWCQTFDFITAAWLIFLFMVLCGSSLALLVRILCGSRGLPLTRLYLTILLTVLVFLLCGLPFGIQWFLILWIWKDSDVLFCHIHPVSVVLSSLNSSANPIIYFFVGSFRKQWRLQQPILKLALQRALQDIAEVDHSEGCFRQGTPEMSRSSLV
UniProt	Q96LB1
Protein Data Bank	N/A
GPCR-HGmod model	Q96LB1
3D structure model	This predicted structure model is from GPCR-EXP Q96LB1.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5849
IUPHAR	157
DrugBank	N/A

Ligand

Name	Codeine-6-glucuronide
Molecular formula	C24H29NO9
IUPAC name	(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular weight	475.494
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	-2.5
Synonyms	ZINC30731133 20736-11-2 Codeine 6-beta-D-Glucuronide Codeine-6-glucuronide sodium salt Glucopyranosiduronic acid, codeine, b-D- (6CI) beta-D-Galactopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl Codeine 6-glucuronide SCHEMBL6753388 C16577 Codeine-6-beta-D-glucuronide solution, 100 mug/mL in methanol: water (2:8), ampule of 1 mL, certified reference material Codeine 6-beta-D-Glucuronide 0.1 mg/ml in Water Codeine-6G Glucopyranosiduronicacid, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methylmorphinan-6a-yl, b-D- (8CI) beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl codeine glucuronide UNII-E2M937KY47 (2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid CHEBI:80580 BDBM224022 Codeine 6-beta-D-Glucuronide 1.0 mg/ml in Water E2M937KY47 Morphinan, 7,8-didehydro-4,5a-epoxy-6a-(b-D-glucopyranuronosyloxy)-3-methoxy-17-methyl- (8CI) C-6-G HYDRATE-TRIFLUOROACETATE Codeine-6-beta-D-glucuronide solution, 1 mg/mL in methanol: water (2:8), ampule of 1 mL, certified reference material [ Show all ]
Inchi Key	CRWVOYRJXPDBPM-HSCJLHHPSA-N
Inchi ID	InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1
PubChem CID	5489029
ChEMBL	N/A
IUPHAR	N/A
BindingDB	224022
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	44000.0 nM	PMID28288109	BindingDB

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