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Ligand

NameCHEMBL287156
Molecular formulaC21H31N11O4
IUPAC name3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
Molecular weight501.552
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP-1.5
Synonyms5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-ethyl}-amide
BDBM50077773
Inchi KeyBUCKWRREYIOIOM-UBHSHLNASA-N
Inchi IDInChI=1S/C21H31N11O4/c1-11(27-19(36)16-30-21(25)32-31-16)17(34)28-13(8-5-9-26-20(23)24)18(35)29-14(15(22)33)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10H2,1H3,(H2,22,33)(H,27,36)(H,28,34)(H,29,35)(H4,23,24,26)(H3,25,30,31,32)/t11-,13-,14-/m0/s1
PubChem CID44280878
ChEMBLCHEMBL287156
IUPHARN/A
BindingDB50077773
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
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GLASS IDNameUniProtGeneSpeciesLength
32913Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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