Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

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	Norcodeine
Molecular formula	C17H19NO3
IUPAC name	(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular weight	285.343
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.7
Synonyms	C16576 EINECS 207-388-2 NCGC00186625-01 Norcodeinum [INN-Latin] 467-15-2 CHEMBL1908321 Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5-alpha,6-alpha)- (9CI) Tox21_112027 AS-17006 DSSTox_RID_81543 N-Norcodeine Norcodeine [INN:BAN] (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol CAS-467-15-2 FT-0773590 Norcodeina Normorphine 3-methyl ether 3-methoxy-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol 7,8-Didehydro-4,5-alpha-epoxy-3-methoxymorphinan-6-alpha-ol DSSTox_CID_26327 N-Demethylcodeine Norcodeine 1.0 mg/ml in Methanol UNII-32W9P3T4ML (-)-N-Norcodeine BDBM224030 DTXSID8046327 NCGC00163182-01 Norcodeinum 1410795-05-9 CHEBI:80579 Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy- Norcodeina [INN-Spanish] SCHEMBL120270 32W9P3T4ML AOB87307 DSSTox_GSID_46327 N-Desmethylcodeine Norcodeine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material ZINC4217170 (-)-Norcodeine [ Show all ]
Inchi Key	HKOIXWVRNLGFOR-KOFBORESSA-N
Inchi ID	InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1
PubChem CID	9925873
ChEMBL	N/A
IUPHAR	N/A
BindingDB	224030
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	16000.0 nM	PMID28288109	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417