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

NameCHEMBL3946799
Molecular formulaC21H22Cl2F3N5O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]benzenesulfonamide
Molecular weight552.394
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL1073855
BDBM50199055
Inchi KeyTUCQLFWSXLIZHY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22Cl2F3N5O3S/c22-16-10-15(11-17(23)19(16)28)35(33,34)29-18(5-9-30-6-1-2-14(30)12-27)20(32)31-7-3-13(4-8-31)21(24,25)26/h1-2,6,10-11,13,18,29H,3-5,7-9,28H2
PubChem CID58509058
ChEMBLCHEMBL3946799
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
544839C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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