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 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

NameCHEMBL1813320
Molecular formulaC27H40N4O4
IUPAC nameN-[2-[3-[5-[3-[2-acetamidoethyl(methyl)amino]phenoxy]pentoxy]-N-methylanilino]ethyl]acetamide
Molecular weight484.641
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50419038
Inchi KeyBEXBBEIMOAMOKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)
PubChem CID56678563
ChEMBLCHEMBL1813320
IUPHARN/A
BindingDB50419038
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
22006Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
22007Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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