Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL142277
Molecular formulaC24H29N5OS
IUPAC nameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide
Molecular weight435.59
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
Synonyms161940-18-7
1h-indole-7-carboxamide,n-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl]-2,3-dihydro-
2,3-Dihydro-1H-indole-7-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
BDBM50054704
KB-265175
[ Show all ]
Inchi KeyVIHHTBYBRANJQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
PubChem CID11797166
ChEMBLCHEMBL142277
IUPHARN/A
BindingDB50054704
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
3558845-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
355885D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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