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

NameCHEMBL2011719
Molecular formulaC19H20N4O2S
IUPAC nameN-butyl-4-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
Molecular weight368.455
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50419948
Inchi KeyAIAHCDISJNPEOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)14-7-9-16(25-2)10-8-14)19-22-21-17(26-19)15-6-5-11-20-13-15/h5-11,13H,3-4,12H2,1-2H3
PubChem CID70691539
ChEMBLCHEMBL2011719
IUPHARN/A
BindingDB50419948
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6039Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
6038Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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