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Ligand

NameCHEMBL337875
Molecular formulaC30H51N9O5
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight617.796
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP-0.8
SynonymsAKOS030608741
143188-77-6
BDBM50031417
CTK0B5077
(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid [(S)-1-((S)-1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide
[ Show all ]
Inchi KeyBFBVBPGZHZLSEB-DUSBTPNUSA-N
Inchi IDInChI=1S/C30H51N9O5/c1-17(2)14-22(27(42)36-21(25(32)40)12-9-13-35-30(33)34)38-28(43)23(15-18(3)4)39-29(44)24(37-26(41)19(5)31)16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-24H,9,12-16,31H2,1-5H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H4,33,34,35)/t19-,21-,22-,23-,24-/m0/s1
PubChem CID11758525
ChEMBLCHEMBL337875
IUPHARN/A
BindingDB50031417
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
22154Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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