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

NameSCHEMBL15987890
Molecular formulaC26H31ClN4O2
IUPAC name2-[2-(3-chlorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
Molecular weight467.01
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsUS9522914, A-02
Inchi KeyACHHEMNDFQPOMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31ClN4O2/c1-19(2)28-25(32)18-31-17-24(29-26(31)22-4-3-5-23(27)16-22)21-8-6-20(7-9-21)10-11-30-12-14-33-15-13-30/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,28,32)
PubChem CID86582814
ChEMBLN/A
IUPHARN/A
BindingDB260200
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535955Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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