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Ligand

NameCHEMBL340880
Molecular formulaC36H60N8O9
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight748.923
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.1
SynonymsBDBM50001442
3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methyl-butylcarbamoyl}-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid
Inchi KeyPZUFIKPNHUHVHX-POOCDACNSA-N
Inchi IDInChI=1S/C36H60N8O9/c1-20(2)14-24(18-40-26(32(38)49)15-21(3)4)41-29(46)12-13-39-36(53)31(22(5)6)44-34(51)27(16-23-10-8-7-9-11-23)42-35(52)28(19-45)43-33(50)25(37)17-30(47)48/h7-11,20-22,24-28,31,40,45H,12-19,37H2,1-6H3,(H2,38,49)(H,39,53)(H,41,46)(H,42,52)(H,43,50)(H,44,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
PubChem CID10485206
ChEMBLCHEMBL340880
IUPHARN/A
BindingDB50001442
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
272976Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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