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Ligand

NameCHEMBL110904
Molecular formulaC28H42N2O5
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[(E)-3-methylpent-3-enyl]pyrrolidine-3-carboxylic acid
Molecular weight486.653
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50066401
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-((E)-3-methyl-pent-3-enyl)-pyrrolidine-3-carboxylic acid
Inchi KeyBCPQVTLHLOKUSN-ZFCIAJOFSA-N
Inchi IDInChI=1S/C28H42N2O5/c1-5-8-14-29(15-9-6-2)26(31)18-30-17-22(21-11-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)12-10-20(4)7-3/h7,11,13,16,22-23,27H,5-6,8-10,12,14-15,17-19H2,1-4H3,(H,32,33)/b20-7+/t22-,23+,27-/m1/s1
PubChem CID44339840
ChEMBLCHEMBL110904
IUPHARN/A
BindingDB50066401
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
20391Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
20390Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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