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

NameCHEMBL3828578
Molecular formulaC20H36N2O2S
IUPAC name2-hexadecylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Molecular weight368.58
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP7.8
SynonymsBDBM50189546
Inchi KeyAGZQPVQOOXJGEV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20-21-18(23)17-19(24)22-20/h17H,2-16H2,1H3,(H2,21,22,23,24)
PubChem CID127045478
ChEMBLCHEMBL3828578
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521618G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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