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Ligand

NameCHEMBL336849
Molecular formulaC37H62N8O9
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-ethylamino]-4-methylpentan-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 weight762.95
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-1.2
SynonymsBDBM50001453
3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-ethyl-amino]-methyl}-3-methyl-butylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid
Inchi KeyGGUJARYCOWWRCL-CEQHRARPSA-N
Inchi IDInChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1
PubChem CID10055928
ChEMBLCHEMBL336849
IUPHARN/A
BindingDB50001453
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
96043Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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