Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL426292
Molecular formulaC26H27N5O2
IUPAC name1-(4-phenoxyphenyl)-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea
Molecular weight441.535
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50167567
N-(4-phenoxyphenyl)-N''-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]urea
1-(4-Phenoxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
SCHEMBL6070074
N-(4-phenoxyphenyl)-N'-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]urea
[ Show all ]
Inchi KeyOHLRSGMODYTCJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27N5O2/c32-26(28-21-8-11-24(12-9-21)33-23-6-2-1-3-7-23)29-22-10-13-25-20(18-22)19-27-31(25)17-16-30-14-4-5-15-30/h1-3,6-13,18-19H,4-5,14-17H2,(H2,28,29,32)
PubChem CID11419337
ChEMBLCHEMBL426292
IUPHARN/A
BindingDB50167567
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
241449Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
241450Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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