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

NameCHEMBL214535
Molecular formulaC32H33N3O3
IUPAC name4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
Molecular weight507.634
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50192520
SCHEMBL5154992
4-(naphthalen-2-yloxy)-3-(3-phenylpropanamido)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
Inchi KeyJLXHGFWAMLYKBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
PubChem CID11591542
ChEMBLCHEMBL214535
IUPHARN/A
BindingDB50192520
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154108Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353
154109Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
154110Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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