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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	(-)-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	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 43F5BF98QO METAZOCINE SureCN1649365 21286-57-7 C11789 Metazocine, (-)- UNII-43F5BF98QO 24989-43-3 DTXSID20872483 NIH-8178 ZINC473 [ 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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