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

NameAC1O20VF
Molecular formulaC21H23N5O2
IUPAC name2-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
Molecular weight377.448
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms2-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CHEMBL1999641
MLS001011272
SMR000353212
Inchi KeyCTQOJGLOHNFMGE-HZHRSRAPSA-N
Inchi IDInChI=1S/C21H23N5O2/c1-15(17-6-8-18(9-7-17)25-11-13-28-14-12-25)23-24-21(27)20-16(2)22-19-5-3-4-10-26(19)20/h3-10H,11-14H2,1-2H3,(H,24,27)/b23-15+
PubChem CID6187702
ChEMBLCHEMBL1999641
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50341Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
50342Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
50340Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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