Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

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

You can:

Ligand

NameI-Abopx
Molecular formulaC23H22IN5O5
IUPAC name2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
Molecular weight575.363
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.4
Synonyms112533-64-9
2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
3-(3-Iodo-4-aminobenzyl)-8-(4-oxyacetate)-1-propylxanthine
3-(4-amino-3-iodobenzyl)-8-[4-[[[carboxy]methyl]oxy]-phenyl]-1-propylxanthine
AC1L4TSO
[ Show all ]
Inchi KeyDKJMGIXWGPEEFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
PubChem CID163889
ChEMBLCHEMBL355370
IUPHAR446
BindingDB82558
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
62340Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
62343Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
62345Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
62342Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
62347Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
62346Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
62341Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
62344Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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