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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL1084295
Molecular formulaC11H19N3O12P2
IUPAC name[(2R,3S,4R,5R)-5-[4-(ethoxyamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight447.23
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogP-3.7
SynonymsBDBM50319141
CHEMBL1198862
N4-Ethoxycytidine 5''-Diphosphate triethylAmmonium Salt
Inchi KeyGIRDCYBYUOKKAL-PEBGCTIMSA-N
Inchi IDInChI=1S/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
PubChem CID46831384
ChEMBLN/A
IUPHARN/A
BindingDB50319141
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
460091P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
97497P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
97496P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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