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Ligand

NameCHEMBL367208
Molecular formulaC29H34N6O4
IUPAC name5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylic acid
Molecular weight530.629
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.0
SynonymsBDBM50050043
SCHEMBL9110753
5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-4-methyl-2-(3-phenyl-ureido)-pentanoylamino]-ethyl}-1H-imidazole-4-carboxylic acid
Inchi KeyAZRZDILDBHZBRH-PKTZIBPZSA-N
Inchi IDInChI=1S/C29H34N6O4/c1-17(2)14-23(33-29(39)31-20-10-6-5-7-11-20)27(36)32-22(26-30-18(3)25(34-26)28(37)38)15-19-16-35(4)24-13-9-8-12-21(19)24/h5-13,16-17,22-23H,14-15H2,1-4H3,(H,30,34)(H,32,36)(H,37,38)(H2,31,33,39)/t22-,23+/m1/s1
PubChem CID44385593
ChEMBLCHEMBL367208
IUPHARN/A
BindingDB50050043
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18446Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
18445Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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