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Name | CHEMBL2369375 |
---|---|
Molecular formula | C44H64N12O8 |
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-[(2R)-1-[[(2S)-1-[[(2S)-1-ethoxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide |
Molecular weight | 889.072 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 1.5 |
Synonyms | BDBM50012319 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[1-(1-ethoxymethyl-3-methyl-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | VJMHXMWDFCWPNU-VRVIZNQOSA-N |
Inchi ID | InChI=1S/C44H64N12O8/c1-9-64-21-32(14-24(2)3)53-42(61)37(17-31-20-46-23-49-31)54-39(58)26(6)51-44(63)38(25(4)5)56-40(59)27(7)50-41(60)35(15-29-18-47-34-13-11-10-12-33(29)34)55-43(62)36(52-28(8)57)16-30-19-45-22-48-30/h10-13,18-20,22-27,32,35-38,47H,9,14-17,21H2,1-8H3,(H,45,48)(H,46,49)(H,50,60)(H,51,63)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t26-,27+,32+,35+,36+,37+,38+/m1/s1 |
PubChem CID | 73354459 |
ChEMBL | CHEMBL2369375 |
IUPHAR | N/A |
BindingDB | 50012319 |
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 |
---|---|---|---|---|---|
356670 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218