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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	6-Acetylcodeine BDBM224019 SCHEMBL3476558 6703-27-1 Codeine, acetyl- ZINC5166563 Acetylcodeine 0.1 mg/ml in Acetonitrile Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate 6-Acetylcodeine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material U59401ETXH 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)- 6-Monoacetylcodeine CHEMBL3092043 UNII-U59401ETXH MFXFQKMUCYHPFQ-BKRJIHRRSA-N [ 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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