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Ligand

NameCHEMBL426413
Molecular formulaC30H40N6O4
IUPAC name2-[(1R)-1-[[(2S)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
Molecular weight548.688
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.2
SynonymsSCHEMBL9112569
2-[(R)-1-[(S)-2-(3-Bicyclo[2.2.1]hept-2-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
BDBM50050013
Inchi KeyBALHDHSGMQLEOZ-URYGNDJSSA-N
Inchi IDInChI=1S/C30H40N6O4/c1-16(2)11-24(34-30(40)33-22-13-18-9-10-19(22)12-18)28(37)32-23(27-31-17(3)26(35-27)29(38)39)14-20-15-36(4)25-8-6-5-7-21(20)25/h5-8,15-16,18-19,22-24H,9-14H2,1-4H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,19?,22?,23-,24+/m1/s1
PubChem CID44387111
ChEMBLCHEMBL426413
IUPHARN/A
BindingDB50050013
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
18965Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
18966Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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