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

NameCHEMBL178610
Molecular formulaC26H29Cl2N3O4
IUPAC name3-(2,6-dichlorophenyl)-N-[4-(diethylamino)phenyl]-5-[2-(1,3-dioxan-2-yl)ethyl]-1,2-oxazole-4-carboxamide
Molecular weight518.435
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50153534
SCHEMBL3635585
3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
Inchi KeyALRVUGNHBIWQLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)
PubChem CID11692087
ChEMBLCHEMBL178610
IUPHARN/A
BindingDB50153534
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8540Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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