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Name | 55749-98-9 |
---|---|
Molecular formula | C38H57N11O7S |
IUPAC name | (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide |
Molecular weight | 812.004 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 1.0 |
Synonyms | H-Trp-Ala-Val-Gly-His-Leu-Met-NH2 (S)-2-((2S,8S,11S,14S)-2-((1H-imidazol-4-yl)methyl)-14-amino-15-(1H-indol-3-yl)-8-isopropyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-N-((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)-4-methylpentanamide ZINC150340156 SCHEMBL14390132 CHEMBL3904006 [ Show all ] |
Inchi Key | FDJOMAIZVIIHGU-XLJSZMODSA-N |
Inchi ID | InChI=1S/C38H57N11O7S/c1-20(2)13-29(36(54)47-28(33(40)51)11-12-57-6)48-37(55)30(15-24-17-41-19-44-24)46-31(50)18-43-38(56)32(21(3)4)49-34(52)22(5)45-35(53)26(39)14-23-16-42-27-10-8-7-9-25(23)27/h7-10,16-17,19-22,26,28-30,32,42H,11-15,18,39H2,1-6H3,(H2,40,51)(H,41,44)(H,43,56)(H,45,53)(H,46,50)(H,47,54)(H,48,55)(H,49,52)/t22-,26-,28-,29-,30-,32-/m0/s1 |
PubChem CID | 10033336 |
ChEMBL | CHEMBL3904006 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
537833 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
537834 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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