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

NameMLS001043230
Molecular formulaC16H15F3N4S2
IUPAC name1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea
Molecular weight384.439
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.3
Synonyms1-[[(4-methylanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
BDBM58186
SMR000425316
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea
cid_1907630
[ Show all ]
Inchi KeyAFCICYMTMFSZNY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15F3N4S2/c1-10-5-7-12(8-6-10)20-14(24)22-23-15(25)21-13-4-2-3-11(9-13)16(17,18)19/h2-9H,1H3,(H2,20,22,24)(H2,21,23,25)
PubChem CID1907630
ChEMBLCHEMBL1499286
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4035Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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