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

NameCHEMBL274102
Molecular formulaC25H29N3O
IUPAC name3-(dimethylamino)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzamide
Molecular weight387.527
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50192184
3-(dimethylamino)-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
Inchi KeyAFEVCQVZGROKQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O/c1-27(2)24-9-5-8-22(17-24)25(29)26-23-12-14-28(15-13-23)18-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29)
PubChem CID44417865
ChEMBLCHEMBL274102
IUPHARN/A
BindingDB50192184
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
4109Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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