Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

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

You can:

Ligand

NameCHEMBL363169
Molecular formulaC25H29N5O4
IUPAC nameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(1H-imidazol-5-ylmethylamino)-5-methoxybenzamide
Molecular weight463.538
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50171573
N-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-yl)-2-[(3H-imidazol-4-ylmethyl)-amino]-5-methoxy-benzamide
Inchi KeyACSHHJKLILVPFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N5O4/c1-32-20-3-4-22(27-13-19-12-26-15-28-19)21(11-20)25(31)29-18-6-8-30(9-7-18)14-17-2-5-23-24(10-17)34-16-33-23/h2-5,10-12,15,18,27H,6-9,13-14,16H2,1H3,(H,26,28)(H,29,31)
PubChem CID44403522
ChEMBLCHEMBL363169
IUPHARN/A
BindingDB50171573
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1871Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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