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Name | CHEMBL304177 |
---|---|
Molecular formula | C44H64N12O7 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-(nonan-5-ylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 873.073 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 10 |
XlogP | 2.8 |
Synonyms | BDBM50012297 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[1-(1-butyl-pentylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | ZRLBFYYYALPPHU-QFJONTTISA-N |
Inchi ID | InChI=1S/C44H64N12O7/c1-7-9-13-30(14-10-8-2)53-42(61)37(19-32-22-46-25-50-32)54-38(58)23-48-44(63)39(26(3)4)56-40(59)27(5)51-41(60)35(17-29-20-47-34-16-12-11-15-33(29)34)55-43(62)36(52-28(6)57)18-31-21-45-24-49-31/h11-12,15-16,20-22,24-27,30,35-37,39,47H,7-10,13-14,17-19,23H2,1-6H3,(H,45,49)(H,46,50)(H,48,63)(H,51,60)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t27-,35-,36-,37-,39-/m0/s1 |
PubChem CID | 44307187 |
ChEMBL | CHEMBL304177 |
IUPHAR | N/A |
BindingDB | 50012297 |
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 |
---|---|---|---|---|---|
435683 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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