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

NameAC1P7LUH
Molecular formulaC19H18FN3O2S
IUPAC name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
Molecular weight371.43
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
MCULE-8045978989
AKOS024615023
SMR000806725
F1872-0597
[ Show all ]
Inchi KeyAGMGIBUAUJWOEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18FN3O2S/c1-25-17-8-6-16(7-9-17)22-18(24)13-26-19-21-10-11-23(19)12-14-2-4-15(20)5-3-14/h2-11H,12-13H2,1H3,(H,22,24)
PubChem CID8487528
ChEMBLCHEMBL1432621
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
463491Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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