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

NameCHEMBL363336
Molecular formulaC27H28N2O3
IUPAC nameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(4-phenylphenyl)acetamide
Molecular weight428.532
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsN-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-yl)-2-biphenyl-4-yl-acetamide
BDBM50168526
Inchi KeyKXBNSOIMMVFGPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N2O3/c30-27(17-20-6-9-23(10-7-20)22-4-2-1-3-5-22)28-24-12-14-29(15-13-24)18-21-8-11-25-26(16-21)32-19-31-25/h1-11,16,24H,12-15,17-19H2,(H,28,30)
PubChem CID44397128
ChEMBLCHEMBL363336
IUPHARN/A
BindingDBN/A
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
180341Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
180342Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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