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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	5'-N-methylcarboxamidoadenosine
Molecular formula	C11H14N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight	294.271
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.1
Synonyms	1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methylribofuranuronamide hemihydrate AKOS027381450 NCGC00162060-02 ZINC1683110 CHEMBL519809 PDSP1_001295 (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-n-methyltetrahydrofuran-2-carboxamide(non-preferred name) AC1Q5L9P MECA Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-methyl-, hemihydrate 35788-27-3 BDBM50407975 NSC 148458 (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-methyl-3,4-dihydroxy-oxolane-2-carboxamide FT-0771045 PDSP2_000984 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide Adenosine-5'-(N-methyl)carboxamide hemihydrate NCGC00162060-01 SCHEMBL10001413 5'-N-Methylcarboxamideadenosine PDSP1_001000 (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide AC1L409F LS-143777 PDSP2_001279 [ Show all ]
Inchi Key	PLYRYAHDNXANEG-QMWPFBOUSA-N
Inchi ID	InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
PubChem CID	98567
ChEMBL	CHEMBL519809
IUPHAR	N/A
BindingDB	50407975
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
263047	2-oxoglutarate receptor 1	Q6Y1R5	Oxgr1	Rattus norvegicus (Rat)	337
542973	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
542970	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
542971	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
542972	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
542979	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
542977	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
542978	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
542980	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
542974	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
542976	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
542975	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
263046	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
263050	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
263048	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
263049	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
452109	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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