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

NameCHEMBL1957448
Molecular formulaC24H47N4O7P
IUPAC nameN,N-diethylethanamine;2-[(1S,2R,3S,4R,5S)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]ethylphosphonic acid
Molecular weight534.635
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyFDNCWJGHLRKAEI-KTDYEEOVSA-N
Inchi IDInChI=1S/C12H17N2O7P.2C6H15N/c15-7-1-3-14(11(18)13-7)8-6-5-12(6,10(17)9(8)16)2-4-22(19,20)21;2*1-4-7(5-2)6-3/h1,3,6,8-10,16-17H,2,4-5H2,(H,13,15,18)(H2,19,20,21);2*4-6H2,1-3H3/t6-,8-,9+,10+,12-;;/m1../s1
PubChem CID70685173
ChEMBLCHEMBL1957448
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75726P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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