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	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	Kinetin riboside
Molecular formula	C15H17N5O5
IUPAC name	(2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	347.331
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	0.2
Synonyms	Furfuryladenosine KBioGR_002280 MLS002207023 N6-Furfuryladenosine Riboside, kinetin Spectrum2_001453 (-)-KINETIN RIBOSIDE ZINC2169849 4338-47-0 Adenosine,N-(2-furanylmethyl)- CCG-38867 KBio1_001591 N-(2-Furanylmethyl)adenosine NCGC00017361-04 SDCCGMLS-0066656.P001 Spectrum5_000687 (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 6-Furfuryladenosine BRD-K94325918-001-02-0 CHEMBL411066 KBio2_006893 LS-15141 N6-(2-furanylmethyl)-adenosine NCGC00142491-03 SPBio_001345 SR-05000002609-1 (3S,2R,4R,5R)-5-{6-[(2-furylmethyl)amino]purin-9-yl}-2-(hydroxymethyl)oxolane- 3,4-diol Adenosine, N-(2-furanylmethyl)- (9CI) BSPBio_002802 EINECS 224-389-3 HY-101055 KBioSS_001757 N(sup 6)-Furfuryladenosine NCGC00017361-02 Ribosylkinetin Spectrum3_001101 (2R,3R,4S,5R)-2-(6-((Furan-2-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol AKOS024282559 CHEBI:95050 KBio2_001757 Kinetin riboside, proapoptotic anitproliferative plant growth regulator N6- inverted question mark.>>uIUUO NCGC00142491-01 SMP1_000170 Spectrum_001277 (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 6-Furfurylaminopurine riboside BRD-K94325918-001-05-3 CS-6377 KBio3_002022 MFCD00037987 N6-(2-ss>>a<<(1/4)x>>u)IUUO NSC 120958 SpecPlus_000551 ST057091 4-26-00-03686 (Beilstein Handbook Reference) ADENOSINE, N-FURFURYL- CAGLGYNQQSIUGX-SDBHATRESA-N FT-0621143 KB-55460 Kinetin ribonucleoside N-(2-Furanylmethyl)-1H-purin-6-amine riboside NCGC00017361-03 SCHEMBL3190252 Spectrum4_001930 (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol 6- inverted question mark.>>u degrees +/->>uaNssE masculineEUO BDBM50241447 KBio2_004325 Kinetin-9-riboside N6-(2-Furanyl-methyl)adenosine NCGC00142491-02 SMR001223878 SR-05000002609 (2R,3R,4S,5R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol AC1L2G2M BRN 0059588 DivK1c_006647 [ Show all ]
Inchi Key	CAGLGYNQQSIUGX-SDBHATRESA-N
Inchi ID	InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
PubChem CID	20345
ChEMBL	CHEMBL411066
IUPHAR	N/A
BindingDB	50241447
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	236.0 nM	PMID7707320	BindingDB,ChEMBL

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