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

NameCHEMBL189496
Molecular formulaC20H20Cl2N2O3
IUPAC nameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3,5-dichlorobenzamide
Molecular weight407.291
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50168536
N-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-3-yl)-3,5-dichloro-benzamide
Inchi KeyKNMAQJJONKQGFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20Cl2N2O3/c21-15-7-14(8-16(22)9-15)20(25)23-17-2-1-5-24(11-17)10-13-3-4-18-19(6-13)27-12-26-18/h3-4,6-9,17H,1-2,5,10-12H2,(H,23,25)
PubChem CID44397262
ChEMBLCHEMBL189496
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
173488Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
173489Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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