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

NameCHEMBL3731872
Molecular formulaC29H27ClF2N6O4S
IUPAC nameN-[7-(2-chloro-4-fluoro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcyclopropanecarboxamide
Molecular weight629.08
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL14471808
Inchi KeySXEQMNRMZZIGAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27ClF2N6O4S/c1-16-12-24(22(30)13-23(16)32)35-26-21(29(40)37-10-8-18(9-11-37)17-4-6-20(31)7-5-17)14-33-27-25(15-34-38(26)27)43(41,42)36-28(39)19-2-3-19/h4-7,12-15,18-19,35H,2-3,8-11H2,1H3,(H,36,39)
PubChem CID53377926
ChEMBLCHEMBL3731872
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
530703C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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