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

You can:

Ligand

NameCHEMBL3085531
Molecular formulaC13H18ClN5O8P2
IUPAC name[(1R,2R,4S,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular weight469.712
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.6
SynonymsBDBM50026893
Inchi KeyNDCFGYFBDZLTJB-LJYOZPSBSA-N
Inchi IDInChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8-,13+/m1/s1
PubChem CID76324375
ChEMBLCHEMBL3085531
IUPHARN/A
BindingDB50026893
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
220433P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
220435P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
220431P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
220436P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
220434P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
220432P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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