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Ligand

NameCHEMBL287676
Molecular formulaC28H35N5O5
IUPAC name3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoyl]amino]propanoyl]amino]propanoic acid
Molecular weight521.618
Hydrogen bond acceptor5
Hydrogen bond donor6
XlogP3.3
SynonymsBDBM50284700
3-{(S)-3-(1H-Indol-3-yl)-2-[(S)-4-methyl-2-(3-m-tolyl-ureido)-pentanoylamino]-propionylamino}-propionic acid
Inchi KeyDTSNLCNXOUHPFT-BJKOFHAPSA-N
Inchi IDInChI=1S/C28H35N5O5/c1-17(2)13-23(33-28(38)31-20-8-6-7-18(3)14-20)27(37)32-24(26(36)29-12-11-25(34)35)15-19-16-30-22-10-5-4-9-21(19)22/h4-10,14,16-17,23-24,30H,11-13,15H2,1-3H3,(H,29,36)(H,32,37)(H,34,35)(H2,31,33,38)/t23-,24+/m0/s1
PubChem CID44279308
ChEMBLCHEMBL287676
IUPHARN/A
BindingDB50284700
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
68651Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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