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

NameCHEMBL237052
Molecular formulaC24H31N3O
IUPAC nameN-(5-aminopentyl)-2-(1H-indol-3-yl)-N-(3-phenylpropyl)acetamide
Molecular weight377.532
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50217719
N-(5-aminopentyl)-2-(1H-indol-3-yl)-N-(3-phenylpropyl)acetamide
Inchi KeyBFBYTEMHUBFYBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O/c25-15-7-2-8-16-27(17-9-12-20-10-3-1-4-11-20)24(28)18-21-19-26-23-14-6-5-13-22(21)23/h1,3-6,10-11,13-14,19,26H,2,7-9,12,15-18,25H2
PubChem CID44434637
ChEMBLCHEMBL237052
IUPHARN/A
BindingDB50217719
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
22164Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
22163Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
22162Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
22161Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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