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

NameN-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazole-4-carboxamide
Molecular formulaC22H19F6N3OS
IUPAC nameN-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazole-4-carboxamide
Molecular weight487.464
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.9
Synonyms3F-315S
MLS000325851
N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazole-4-carboxamide
KS-000035CJ
ZINC3128566
[ Show all ]
Inchi KeyAEYJCFPXVJRTGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19F6N3OS/c1-12-7-8-16(9-13(12)2)29-19(32)17-18(22(26,27)28)30-31(3)20(17)33-11-14-5-4-6-15(10-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,29,32)
PubChem CID3812674
ChEMBLCHEMBL1420206
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3956Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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