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

NameCHEMBL215586
Molecular formulaC21H21N3O2
IUPAC name(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-hydroxyphenyl)prop-2-enamide
Molecular weight347.418
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50193619
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-hydroxyphenyl)acrylamide
Inchi KeyCQQUNWIOKPWYDC-IZZDOVSWSA-N
Inchi IDInChI=1S/C21H21N3O2/c1-2-3-15-13-19(22)18-12-16(7-10-20(18)23-15)24-21(26)11-6-14-4-8-17(25)9-5-14/h4-13,25H,2-3H2,1H3,(H2,22,23)(H,24,26)/b11-6+
PubChem CID44417827
ChEMBLCHEMBL215586
IUPHARN/A
BindingDB50193619
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
48336Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
48335Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417