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	CHEMBL32507
Molecular formula	C23H24IN7O4
IUPAC name	2-[6-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyridazin-3-yl]oxy-N-(4-iodophenyl)acetamide
Molecular weight	589.394
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM50140962 SCHEMBL1779754 2-[6-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridazin-3-yloxy]-N-(4-iodo-phenyl)-acetamide
Inchi Key	ANRXJTQUUKQYBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27)
PubChem CID	10153190
ChEMBL	CHEMBL32507
IUPHAR	N/A
BindingDB	50140962
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
9811	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
9810	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
9812	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
442087	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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