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 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

NameCHEMBL237937
Molecular formulaC22H22ClN3O2
IUPAC nameN-(3-aminopropyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Molecular weight395.887
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50217656
(Z)-N-(3-aminopropyl)-N-(2-chloro-3-phenylallyl)-2-(1H-indol-3-yl)-2-oxoacetamide
Inchi KeyBSOAWEMWSFGNBX-LGMDPLHJSA-N
Inchi IDInChI=1S/C22H22ClN3O2/c23-17(13-16-7-2-1-3-8-16)15-26(12-6-11-24)22(28)21(27)19-14-25-20-10-5-4-9-18(19)20/h1-5,7-10,13-14,25H,6,11-12,15,24H2/b17-13-
PubChem CID10178845
ChEMBLCHEMBL237937
IUPHARN/A
BindingDB50217656
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31831Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
31833Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
31832Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
31830Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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