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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	(-)-metazocine
Molecular formula	C15H21NO
IUPAC name	(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight	231.339
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.8
Synonyms	43F5BF98QO METAZOCINE SureCN1649365 21286-57-7 C11789 Metazocine, (-)- UNII-43F5BF98QO 24989-43-3 DTXSID20872483 NIH-8178 ZINC473 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2alpha,6alpha,11R)- alpha-(-)-Metazocine Metazocine (2R,6R,11R)-form [MI] trans-(-)-Metazocine 21286-60-2 CHEBI:6799 Metazocine, cis-(-)- UNII-E8L57A7W0W (-)-9-epi-Metazocine 3734-52-9 E8L57A7W0W SCHEMBL1649365 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2alpha,6alpha,11S)- BDBM224014 Metazocine (2R,6R,11S)-form [MI] UNII-2AO0073XHO component YGSVZRIZCHZUHB-COLVAYQJSA-N cis-(-)-Metazocine Metazocine, trans-(-)- UNII-XD53YGT34W component YGSVZRIZCHZUHB-COLVAYQJSA-N [ Show all ]
Inchi Key	YGSVZRIZCHZUHB-COLVAYQJSA-N
Inchi ID	InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15+/m0/s1
PubChem CID	443404
ChEMBL	N/A
IUPHAR	N/A
BindingDB	224014
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	15000.0 nM	PMID28288109	BindingDB
EC50	19000.0 nM	PMID28288109	BindingDB

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