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Ligand

NameCHEMBL288371
Molecular formulaC28H28N2O2S
IUPAC name2-[2-(2-methoxyphenyl)ethanimidoyl]-4,4-diphenyl-1,3,3a,7a-tetrahydrothiopyrano[3,4-c]pyrrol-7-one
Molecular weight456.604
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50284880
2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-4,4-diphenyl-hexahydro-thiopyrano[3,4-c]pyrrol-7-one
Inchi KeyAEGBWONMUPOGGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N2O2S/c1-32-26-15-9-8-10-20(26)16-27(29)30-17-23-24(18-30)28(33-19-25(23)31,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,23-24,29H,16-19H2,1H3
PubChem CID44287803
ChEMBLCHEMBL288371
IUPHARN/A
BindingDB50284880
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3428Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
3429Substance-P receptorP25103TACR1Homo sapiens (Human)407

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