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

NameCHEMBL3729146
Molecular formulaC27H27FN6O4S
IUPAC nameN-[7-(4-fluoro-2-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylacetamide
Molecular weight550.609
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.7
SynonymsIOGZMPOKCONFIQ-UHFFFAOYSA-N
N-[7-(4-fluoro-2-methylphenylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl]acetamide
SCHEMBL14471907
Inchi KeyIOGZMPOKCONFIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN6O4S/c1-17-14-21(28)8-9-23(17)31-25-22(15-29-26-24(16-30-34(25)26)39(37,38)32-18(2)35)27(36)33-12-10-20(11-13-33)19-6-4-3-5-7-19/h3-9,14-16,20,31H,10-13H2,1-2H3,(H,32,35)
PubChem CID71179018
ChEMBLCHEMBL3729146
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525500C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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