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Ligand

NameCHEMBL132128
Molecular formulaC29H49N9O5
IUPAC name(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylacetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
Molecular weight603.769
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.4
SynonymsBDBM50031400
(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-2-phenyl-acetylamino]-4-methyl-pentanoic acid [(S)-1-((S)-1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide
Inchi KeyAKXZUIRQNMGYLA-SVXFZJLFSA-N
Inchi IDInChI=1S/C29H49N9O5/c1-16(2)14-21(26(41)35-20(24(31)39)12-9-13-34-29(32)33)36-27(42)22(15-17(3)4)37-28(43)23(38-25(40)18(5)30)19-10-7-6-8-11-19/h6-8,10-11,16-18,20-23H,9,12-15,30H2,1-5H3,(H2,31,39)(H,35,41)(H,36,42)(H,37,43)(H,38,40)(H4,32,33,34)/t18-,20-,21-,22-,23-/m0/s1
PubChem CID44354062
ChEMBLCHEMBL132128
IUPHARN/A
BindingDB50031400
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8012Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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