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

NameMLS000697273
Molecular formulaC20H16N2O2S
IUPAC name[3-(4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Molecular weight348.42
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
Synonyms[5-(4-hydroxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-(2-thienyl)methanone
HMS2570D06
[3-(4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-yl-methanone
CHEMBL1399721
BDBM113874
[ Show all ]
Inchi KeyAGCXWRBNCJJTAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16N2O2S/c23-16-10-8-15(9-11-16)18-13-17(14-5-2-1-3-6-14)21-22(18)20(24)19-7-4-12-25-19/h1-12,18,23H,13H2
PubChem CID12005820
ChEMBLCHEMBL1399721
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4779Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
4778Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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