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Ligand

NameCHEMBL31546
Molecular formulaC30H37N5O5
IUPAC name3-[[(2R)-2-[[(2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight547.656
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP3.1
SynonymsBDBM50403469
Inchi KeyHDXLUIHHRNROGM-IZZNHLLZSA-N
Inchi IDInChI=1S/C30H37N5O5/c1-19(2)15-25(34-30(40)35-14-12-20-7-3-4-8-21(20)18-35)29(39)33-26(28(38)31-13-11-27(36)37)16-22-17-32-24-10-6-5-9-23(22)24/h3-10,17,19,25-26,32H,11-16,18H2,1-2H3,(H,31,38)(H,33,39)(H,34,40)(H,36,37)/t25-,26+/m0/s1
PubChem CID44279290
ChEMBLCHEMBL31546
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112433Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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