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

NameMLS000391056
Molecular formulaC20H27ClN2OS
IUPAC name1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-cyclohexyl-1-methylthiourea
Molecular weight378.959
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.7
SynonymsCHEMBL1427917
Z45754981
1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-3-cyclohexyl-1-methyl-thiourea
MCULE-3402174536
473667-85-5
[ Show all ]
Inchi KeyCBXZCXFSSRYOGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27ClN2OS/c1-23(19(25)22-15-9-3-2-4-10-15)20(14-8-7-13-18(20)24)16-11-5-6-12-17(16)21/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3,(H,22,25)
PubChem CID4006073
ChEMBLCHEMBL1427917
IUPHARN/A
BindingDB42064
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
38335Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
38336Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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