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

NameCHEMBL3702011
Molecular formulaC19H20N4O
IUPAC nameN-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenyl-1H-pyrazol-3-amine
Molecular weight320.396
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.8
SynonymsSCHEMBL12609901
Inchi KeyGDVHMMRWGWZVGE-GOSISDBHSA-N
Inchi IDInChI=1S/C19H20N4O/c1-2-4-14(5-3-1)17-12-19(23-22-17)21-16-8-6-15(7-9-16)18-13-20-10-11-24-18/h1-9,12,18,20H,10-11,13H2,(H2,21,22,23)/t18-/m1/s1
PubChem CID68325640
ChEMBLCHEMBL3702011
IUPHARN/A
BindingDB129471
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
94013Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
94014Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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