Zhang Lab

University of Michigan

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 ●DMFold ●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	8-Cyclopentyl-1,3-dimethylxanthine
Molecular formula	C12H16N4O2
IUPAC name	8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	248.286
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.6
Synonyms	1H-Purine-2,6-dione,8-cyclopentyl-3,9-dihydro-1,3-dimethyl- SCHEMBL431907 8-cyclopentyl-1,3-dimethyl-9H-purine-2,6-dione Spectrum5_001769 AKOS027320620 Xanthine, 8-cyclopentyl-1,3-dimethyl- CAS_1917 D0L5JL HMS3261O03 KBio3_001515 MLS000859932 NCGC00015178-06 NINDS_000824 NSC101806 8-Cyclopentyl theophylline SPBio_001808 8-cyclopentyltheophylline SR-01000075232-1 BRD-K38347298-001-02-3 CHEBI:109538 DTXSID70189432 IDI1_000824 L000085 NCGC00015178-01 NCGC00093819-02 1,3-dimethyl-8-cyclopentylxanthine 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl- (9CI) PDSP2_000978 8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione Spectrum3_000658 AC1L1CIO U7PWT4CPL5 BSPBio_002295 CPT; 8-Cyclopentyltheophylline GTPL385 KBio2_003399 LP00391 NCGC00015178-04 NCGC00261076-01 35873-49-5 SCVHFRLUNIOSGI-UHFFFAOYSA-N Spectrum_000351 AKOS030211020 ZINC15880093 CCG-221695 DB-048886 HMS3374O03 KBioGR_001120 Mol Pharmacol 29: 331 (1986) NCGC00015178-07 NSC 101806 NSC_1917 8-Cyclopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione SPECTRUM2300193 8-cyclopentyltheophylline (cpt) Theophylline, 8-cyclopentyl- BRD-K38347298-001-06-4 EU-0100391 KBio1_000824 Lopac-C-102 NCGC00015178-02 NCGC00093819-03 1H-Purine-2, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl- 1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-1,3-dimethyl- SCHEMBL18029489 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione Spectrum4_000760 AC1Q6LAU UNII-U7PWT4CPL5 C-102 CTK4H5503 HMS2231K17 KBio2_005967 LS-149466 NCGC00015178-05 NCIOpen2_006919 NSC-101806 SMR000326793 8-Cyclopentyl-1,3-dimethylxanthine, >=98% (HPLC), powder SR-01000075232 BDBM81925 CCG-39502 DivK1c_000824 HMS502J06 KBioSS_000831 MolPort-003-846-098 NCGC00093819-01 PDSP1_000994 8-cyclopentyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione Spectrum2_001734 Tox21_500391 BRN 1133199 CHEMBL106265 FT-0639285 KBio2_000831 Lopac0_000391 NCGC00015178-03 NCGC00093819-04 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl- [ Show all ]
Inchi Key	SCVHFRLUNIOSGI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
PubChem CID	1917
ChEMBL	CHEMBL106265
IUPHAR	385
BindingDB	81925
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
311161	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
311163	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
311164	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
311167	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
554801	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
311168	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
311165	Adenosine receptor A3	P35342	ADORA3	Ovis aries (Sheep)	317
311169	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
311162	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
311171	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
311170	P2Y purinoceptor 2	P58825	P2RY2	Cricetulus griseus (Chinese hamster)	166

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218