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Name | CHEMBL2369363 |
---|---|
Molecular formula | C41H58N12O8 |
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)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 846.991 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 0.2 |
Synonyms | BDBM50012299 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[1-(1-hydroxymethyl-3-methyl-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | YMICSNQVBRVWNV-IXPDVYBYSA-N |
Inchi ID | InChI=1S/C41H58N12O8/c1-22(2)11-29(19-54)50-39(59)34(14-28-17-43-21-47-28)51-35(56)18-45-41(61)36(23(3)4)53-37(57)24(5)48-38(58)32(12-26-15-44-31-10-8-7-9-30(26)31)52-40(60)33(49-25(6)55)13-27-16-42-20-46-27/h7-10,15-17,20-24,29,32-34,36,44,54H,11-14,18-19H2,1-6H3,(H,42,46)(H,43,47)(H,45,61)(H,48,58)(H,49,55)(H,50,59)(H,51,56)(H,52,60)(H,53,57)/t24-,29-,32-,33-,34-,36-/m0/s1 |
PubChem CID | 73354457 |
ChEMBL | CHEMBL2369363 |
IUPHAR | N/A |
BindingDB | 50012299 |
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 |
---|---|---|---|---|---|
413668 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218