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Name | CHEMBL340389 |
---|---|
Molecular formula | C31H53N9O6 |
IUPAC name | (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]-methylamino]-4-methylpentanoyl]amino]-4-methylpentanamide |
Molecular weight | 647.822 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 8 |
XlogP | -0.2 |
Synonyms | BDBM50031409 (S)-2-{[(S)-2-((S)-2-Amino-3-hydroxy-propionylamino)-3-phenyl-propionyl]-methyl-amino}-4-methyl-pentanoic acid [(S)-1-((S)-1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butyl]-amide |
Inchi Key | AMMXVTGFEZTKKO-KEOOTSPTSA-N |
Inchi ID | InChI=1S/C31H53N9O6/c1-18(2)14-23(28(44)37-22(26(33)42)12-9-13-36-31(34)35)38-29(45)25(15-19(3)4)40(5)30(46)24(39-27(43)21(32)17-41)16-20-10-7-6-8-11-20/h6-8,10-11,18-19,21-25,41H,9,12-17,32H2,1-5H3,(H2,33,42)(H,37,44)(H,38,45)(H,39,43)(H4,34,35,36)/t21-,22-,23-,24-,25-/m0/s1 |
PubChem CID | 10416780 |
ChEMBL | CHEMBL340389 |
IUPHAR | N/A |
BindingDB | 50031409 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9057 | Proteinase-activated receptor 1 | P25116 | F2R | Homo sapiens (Human) | 425 |
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