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

NameCHEMBL3732278
Molecular formulaC28H27ClN6O5S
IUPAC nameN-[7-(2-chloro-5-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylacetamide
Molecular weight595.071
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL15915856
UCVKVXZPNANIBM-UHFFFAOYSA-N
N-{7-(2-Chloro-5-methylphenylamino)-6-[3H-spiro(isobenzofuran-1,4'-piperidine)-1'-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}acetamide
Inchi KeyUCVKVXZPNANIBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClN6O5S/c1-17-7-8-22(29)23(13-17)32-25-20(14-30-26-24(15-31-35(25)26)41(38,39)33-18(2)36)27(37)34-11-9-28(10-12-34)21-6-4-3-5-19(21)16-40-28/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,33,36)
PubChem CID90313170
ChEMBLCHEMBL3732278
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
530861C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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