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

NameCHEMBL216192
Molecular formulaC28H32N4O3
IUPAC name4-(3,4-dimethylphenoxy)-3-(phenylcarbamoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
Molecular weight472.589
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.5
SynonymsSCHEMBL5150831
BDBM50192518
1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-phenylurea
Inchi KeyAENNLOUNPCFAFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
PubChem CID11236807
ChEMBLCHEMBL216192
IUPHARN/A
BindingDB50192518
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3661Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353
3662Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
3663Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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