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

NameCHEMBL26830
Molecular formulaC14H9BrClN3O2
IUPAC name1-(2-bromophenyl)-3-(4-chloro-3-cyano-2-hydroxyphenyl)urea
Molecular weight366.599
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL7487837
BDBM50140789
1-(2-Bromo-phenyl)-3-(4-chloro-3-cyano-2-hydroxy-phenyl)-urea
Inchi KeyARQRXWXRYLWRTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,(H2,18,19,21)
PubChem CID21184843
ChEMBLCHEMBL26830
IUPHARN/A
BindingDB50140789
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12681C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
12680C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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