Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL2113144
Molecular formulaC33H37ClN4O2
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight557.135
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.8
SynonymsN/A
Inchi KeyAGARXGRVNIJDFP-LOYHVIPDSA-N
Inchi IDInChI=1S/C33H37ClN4O2/c34-27-14-12-23(13-15-27)20-30(36-32(39)29-21-25-7-1-2-8-26(25)22-35-29)33(40)38-18-16-37(17-19-38)31-11-5-9-24-6-3-4-10-28(24)31/h1-2,5,7-9,11-15,29-30,35H,3-4,6,10,16-22H2,(H,36,39)/t29-,30-/m1/s1
PubChem CID71461657
ChEMBLCHEMBL2113144
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4708Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
4707Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
4710Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
4709Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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