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Ligand

NameCHEMBL31051
Molecular formulaC28H35N5O5
IUPAC name3-[[(2R)-2-[[(2S)-2-(benzylcarbamoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight521.618
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP2.4
SynonymsBDBM50284698
3-[(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi KeyHDKNDQYKXXJCQF-BJKOFHAPSA-N
Inchi IDInChI=1S/C28H35N5O5/c1-18(2)14-23(33-28(38)31-16-19-8-4-3-5-9-19)27(37)32-24(26(36)29-13-12-25(34)35)15-20-17-30-22-11-7-6-10-21(20)22/h3-11,17-18,23-24,30H,12-16H2,1-2H3,(H,29,36)(H,32,37)(H,34,35)(H2,31,33,38)/t23-,24+/m0/s1
PubChem CID44279408
ChEMBLCHEMBL31051
IUPHARN/A
BindingDB50284698
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112050Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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