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

NameCHEMBL195321
Molecular formulaC30H34N2O3
IUPAC name1-acetyl-N-[2-(4-methoxyphenyl)ethyl]-2,2,4-trimethyl-4-phenyl-3H-quinoline-6-carboxamide
Molecular weight470.613
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50410293
LRYZMVUWQKWISQ-UHFFFAOYSA-N
1-Acetyl-6-(2-[4-methoxyphenyl]ethylamino)carbonyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
SCHEMBL1322871
Inchi KeyLRYZMVUWQKWISQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N2O3/c1-21(33)32-27-16-13-23(28(34)31-18-17-22-11-14-25(35-5)15-12-22)19-26(27)30(4,20-29(32,2)3)24-9-7-6-8-10-24/h6-16,19H,17-18,20H2,1-5H3,(H,31,34)
PubChem CID11442786
ChEMBLCHEMBL195321
IUPHARN/A
BindingDB50410293
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
194991Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695

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