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

Name3-hydroxy-1-(6-methylpyridin-2-yl)-5-[4-(propan-2-yl)phenyl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Molecular formulaC24H22N2O3S
IUPAC name4-hydroxy-1-(6-methylpyridin-2-yl)-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Molecular weight418.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsAC1MXUNX
Oprea1_514710
CHEMBL1576217
MolPort-000-433-281
MolPort-000-700-128
[ Show all ]
Inchi KeyDUJWEXPTWKQUEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O3S/c1-14(2)16-9-11-17(12-10-16)21-20(22(27)18-7-5-13-30-18)23(28)24(29)26(21)19-8-4-6-15(3)25-19/h4-14,21,28H,1-3H3
PubChem CID3771682
ChEMBLCHEMBL1576217
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69126Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
69124Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
69125Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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