Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3727493
Molecular formulaC27H25F5N6O3S
IUPAC name7-(4-fluoro-2-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
Molecular weight608.588
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP5.1
SynonymsSCHEMBL14471955
QURQYSNPKJFMGS-UHFFFAOYSA-N
7-(4-fluoro-2-methylphenylamino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
Inchi KeyQURQYSNPKJFMGS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25F5N6O3S/c1-16-12-20(29)6-7-22(16)36-24-21(26(39)37-10-8-18(9-11-37)17-2-4-19(28)5-3-17)13-33-25-23(14-34-38(24)25)42(40,41)35-15-27(30,31)32/h2-7,12-14,18,35-36H,8-11,15H2,1H3
PubChem CID53379326
ChEMBLCHEMBL3727493
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
529693C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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