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

NameCHEMBL197026
Molecular formulaC24H25F3N4O3
IUPAC nameN-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Molecular weight474.484
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50172425
N-[2-(4-Amino-piperidin-1-yl)-4-methyl-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide
SCHEMBL5910683
Inchi KeyBEVTZBDUQNCQFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)
PubChem CID10027853
ChEMBLCHEMBL197026
IUPHARN/A
BindingDB50172425
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
21952Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
21951Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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