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

NameCHEMBL2322885
Molecular formulaC21H24Cl2F3N5O3
IUPAC name2-chloro-5-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-3-methoxy-N,N-dimethylbenzamide
Molecular weight522.35
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50427099
Inchi KeyAFQAOUGZKYKDEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24Cl2F3N5O3/c1-12-17(22)19(21(24,25)26)27-31(12)11-16(32)30-7-5-29(6-8-30)13-9-14(20(33)28(2)3)18(23)15(10-13)34-4/h9-10H,5-8,11H2,1-4H3
PubChem CID71718647
ChEMBLCHEMBL2322885
IUPHARN/A
BindingDB50427099
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
4391C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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