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

NameCHEMBL439976
Molecular formulaC18H19ClIN7O2
IUPAC name(2S,4S,5R)-4-amino-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight527.751
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
Synonyms4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide
9-[3beta-Amino-5beta-(methylcarbamoyl)tetrahydrofuran-2beta-yl]-N-(3-iodobenzyl)-2-chloro-9H-purine-6-amine
BDBM50106542
Inchi KeyBJVZKVDNIYWWSB-NVGCLXPQSA-N
Inchi IDInChI=1S/C18H19ClIN7O2/c1-22-16(28)12-6-11(21)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7,21H2,1H3,(H,22,28)(H,23,25,26)/t11-,12-,17+/m0/s1
PubChem CID10482029
ChEMBLCHEMBL439976
IUPHARN/A
BindingDB50106542
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25508Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
25507Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
25509Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
442675Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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