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

NameCHEMBL3973467
Molecular formulaC18H24Cl2N6O3S
IUPAC name4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(1,2,4-triazol-1-yl)butan-2-yl]benzenesulfonamide
Molecular weight475.389
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50199081
Inchi KeyLKQQQELQFQUHTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24Cl2N6O3S/c1-12-2-5-25(6-3-12)18(27)16(4-7-26-11-22-10-23-26)24-30(28,29)13-8-14(19)17(21)15(20)9-13/h8-12,16,24H,2-7,21H2,1H3
PubChem CID134153465
ChEMBLCHEMBL3973467
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
550245C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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