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

NameAC1LJT2A
Molecular formulaC24H24N4O3S
IUPAC nameN-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
Molecular weight448.541
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsMCULE-9264243542
ZINC623810
AKOS003209021
N-(2-furoyl)-N'-{4-[4-(2-methylbenzoyl)-1-piperazinyl]phenyl}thiourea
CHEMBL1367382
[ Show all ]
Inchi KeyLEHPHUZOYPVZPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N4O3S/c1-17-5-2-3-6-20(17)23(30)28-14-12-27(13-15-28)19-10-8-18(9-11-19)25-24(32)26-22(29)21-7-4-16-31-21/h2-11,16H,12-15H2,1H3,(H2,25,26,29,32)
PubChem CID979491
ChEMBLCHEMBL1367382
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
185305Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
185307Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
485846Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
185306Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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