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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.
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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	Acetylcodeine
Molecular formula	C20H23NO4
IUPAC name	[(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] acetate
Molecular weight	341.407
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.7
Synonyms	7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol acetate LS-91913 [(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] acetate Acetylcodeine 1.0 mg/ml in Acetonitrile Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate, (5alpha,6alpha)- CHEMBL3092043 UNII-U59401ETXH 6-Monoacetylcodeine MFXFQKMUCYHPFQ-BKRJIHRRSA-N BDBM224019 SCHEMBL3476558 6-Acetylcodeine Codeine, acetyl- ZINC5166563 6703-27-1 Acetylcodeine 0.1 mg/ml in Acetonitrile Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate U59401ETXH 6-Acetylcodeine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material [ Show all ]
Inchi Key	MFXFQKMUCYHPFQ-BKRJIHRRSA-N
Inchi ID	InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
PubChem CID	5486550
ChEMBL	CHEMBL3092043
IUPHAR	N/A
BindingDB	224019
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	19000.0 nM	PMID28288109	BindingDB
EC50	25000.0 nM	PMID28288109	BindingDB

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