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Ligand

NameCHEMBL337970
Molecular formulaC38H56N8O9
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-phenylpropan-2-yl]amino]-2-oxoethyl]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 weight768.913
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-1.8
SynonymsBDBM50001439
3-Amino-N-(1-{1-[1-({[1-benzyl-2-(1-carbamoyl-3-methyl-butylamino)-ethylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid
Inchi KeyOYLGODCMXMYQFD-HLYNNXGTSA-N
Inchi IDInChI=1S/C38H56N8O9/c1-22(2)15-28(34(40)51)41-19-26(16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
PubChem CID9987740
ChEMBLCHEMBL337970
IUPHARN/A
BindingDB50001439
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
253348Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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