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

NameCHEMBL181582
Molecular formulaC27H25N3O4
IUPAC name6-(2-amino-2-phenylethyl)-8-(3-methoxyphenyl)-3-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
Molecular weight455.514
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
Synonyms6-(2-Amino-2-phenyl-ethyl)-8-(3-methoxy-phenyl)-3-phenyl-2,3-dihydro-oxazolo[3,2-c]pyrimidine-5,7-dione
BDBM50161501
Inchi KeyAFMDTFNICURUOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N3O4/c1-33-21-14-8-13-20(15-21)24-25(31)29(16-22(28)18-9-4-2-5-10-18)27(32)30-23(17-34-26(24)30)19-11-6-3-7-12-19/h2-15,22-23H,16-17,28H2,1H3
PubChem CID44389647
ChEMBLCHEMBL181582
IUPHARN/A
BindingDB50161501
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
4274Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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