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

NameCHEMBL2440930
Molecular formulaC34H45N7O6
IUPAC name(2R)-5-[[amino-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight647.777
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP1.8
SynonymsBDBM50442562
CHEMBL3040665
Inchi KeyLZGMMOAITJXMJI-GDLZYMKVSA-N
Inchi IDInChI=1S/C34H45N7O6/c35-17-20-46-22-23-47-21-19-38-34(45)41-33(36)37-18-7-12-29(31(43)39-24-25-13-15-28(42)16-14-25)40-32(44)30(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,13-16,29-30,42H,7,12,17-24,35H2,(H,39,43)(H,40,44)(H4,36,37,38,41,45)/t29-/m1/s1
PubChem CID72205287
ChEMBLN/A
IUPHARN/A
BindingDB50442562
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
200024Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
200026Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
200027Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
200025Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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