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

NameCHEMBL412023
Molecular formulaC32H43Cl2N5O3
IUPAC nameN-[(1S)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]-5-methylphenyl]-3-methylbutyl]-2-(methylamino)acetamide
Molecular weight616.628
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50221128
N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-methylphenyl)-3-methylbutyl)-2-(methylamino)acetamide
Inchi KeyAFKWCSONBYVREL-LMSSTIIKSA-N
Inchi IDInChI=1S/C32H43Cl2N5O3/c1-21(2)16-27(36-30(40)20-35-4)25-17-22(3)7-10-28(25)37-12-14-38(15-13-37)32(42)29(39-11-5-6-31(39)41)18-23-8-9-24(33)19-26(23)34/h7-10,17,19,21,27,29,35H,5-6,11-16,18,20H2,1-4H3,(H,36,40)/t27-,29+/m0/s1
PubChem CID44433287
ChEMBLCHEMBL412023
IUPHARN/A
BindingDB50221128
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
4249Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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