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

NameCHEMBL2153438
Molecular formulaC25H23N3O
IUPAC name4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]butanamide
Molecular weight381.479
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50393163
Inchi KeySFBYFQOWKAMMMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O/c29-24(10-4-9-23-16-15-22-8-5-17-26-25(22)28-23)27-18-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-3,5-8,11-17H,4,9-10,18H2,(H,27,29)
PubChem CID71460331
ChEMBLCHEMBL2153438
IUPHARN/A
BindingDB50393163
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
312688Succinate receptor 1Q9BXA5SUCNR1Homo sapiens (Human)334

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