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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	TAN-67
Molecular formula	C23H24N2O
IUPAC name	3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
Molecular weight	344.458
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	(-)-TAN-67 CHEBI:124990 ZINC3995327 3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol GTPL9567 BDBM50290872 SCHEMBL12013211 (-)TAN-67 SB-205,607 (-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4a-yl)phenol C20168 3-((4aS,12aR)-2-Methyl-1,3,4,5,12,12a-hexahydro-2H-2,6-diaza-naphthacen-4a-yl)-phenol CHEMBL327745 SB-213698 [ Show all ]
Inchi Key	LEPBHAAYNPPRRA-WMZHIEFXSA-N
Inchi ID	InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
PubChem CID	9950038
ChEMBL	CHEMBL327745
IUPHAR	9567
BindingDB	50290872
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	650.0 nM	PMID28288109	BindingDB
EC50	1800.0 nM	PMID28288109	BindingDB
EC50	1820.0 nM	PMID23396314, PMID28288109, PMID11765135	IUPHAR

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