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

NameCHEMBL213873
Molecular formulaC27H28F3N3O
IUPAC name(E)-N-(4-piperidin-1-yl-2-propylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight467.536
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50193607
(E)-N-(4-(piperidin-1-yl)-2-propylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
Inchi KeyAMQCCJITDXPYII-NTEUORMPSA-N
Inchi IDInChI=1S/C27H28F3N3O/c1-2-6-21-18-25(33-15-4-3-5-16-33)23-17-22(12-13-24(23)31-21)32-26(34)14-9-19-7-10-20(11-8-19)27(28,29)30/h7-14,17-18H,2-6,15-16H2,1H3,(H,32,34)/b14-9+
PubChem CID10310778
ChEMBLCHEMBL213873
IUPHARN/A
BindingDB50193607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9150Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
9149Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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