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

NameCHEMBL197245
Molecular formulaC21H21Cl2N3O3
IUPAC name2-(2,4-dichlorophenoxy)-N-[2-[2-hydroxyethyl(methyl)amino]-4-methylquinolin-6-yl]acetamide
Molecular weight434.317
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50172415
2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide
Inchi KeyFKLOHGYBYOWNQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
PubChem CID11495754
ChEMBLCHEMBL197245
IUPHARN/A
BindingDB50172415
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
805975-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
80598Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
80599Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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