Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL95661
Molecular formulaC20H29N5O2
IUPAC name3-cyclopropyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
Molecular weight371.485
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
Synonyms3-Cyclopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-propyl-piperazin-1-yl)-ethyl]-amide
BDBM50079297
3-Cyclopropyl-N-[2-(4-propylpiperazino)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide
Inchi KeyAKWCUHYNOGZWTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29N5O2/c1-2-10-22-12-14-23(15-13-22)11-9-21-19(26)25-18-6-4-3-5-17(18)24(20(25)27)16-7-8-16/h3-6,16H,2,7-15H2,1H3,(H,21,26)
PubChem CID11726706
ChEMBLCHEMBL95661
IUPHARN/A
BindingDB50079297
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
79505-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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