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

NameSCHEMBL1197995
Molecular formulaC18H19ClFN3O4S
IUPAC name1-[4-chloro-2-hydroxy-3-[(3S)-pyrrolidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
Molecular weight427.875
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.8
SynonymsCHEMBL3971309
Inchi KeyFCPRZCUSHXUJGN-NSHDSACASA-N
Inchi IDInChI=1S/C18H19ClFN3O4S/c1-10-13(20)3-2-4-14(10)22-18(25)23-15-6-5-12(19)17(16(15)24)28(26,27)11-7-8-21-9-11/h2-6,11,21,24H,7-9H2,1H3,(H2,22,23,25)/t11-/m0/s1
PubChem CID57649032
ChEMBLCHEMBL3971309
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537816C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
537815C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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