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

NameCHEMBL3728071
Molecular formulaC28H23Cl2FN8O3S
IUPAC name7-(2,5-dichloroanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-N-pyridazin-3-ylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
Molecular weight641.503
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL15914608
Inchi KeyDGCXWUIRALDAQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H23Cl2FN8O3S/c29-19-5-8-22(30)23(14-19)35-26-21(28(40)38-12-9-18(10-13-38)17-3-6-20(31)7-4-17)15-32-27-24(16-34-39(26)27)43(41,42)37-25-2-1-11-33-36-25/h1-8,11,14-16,18,35H,9-10,12-13H2,(H,36,37)
PubChem CID90312249
ChEMBLCHEMBL3728071
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
523268C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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