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Name | CHEMBL429542 |
---|---|
Molecular formula | C58H74N14O9 |
IUPAC name | (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[3-(4-methoxyphenyl)propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1111.32 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 11 |
XlogP | 3.3 |
Synonyms | N/A |
Inchi Key | HOAKHYNYLSFYJI-MEYQZQHLSA-N |
Inchi ID | InChI=1S/C58H74N14O9/c1-34(2)51(57(79)67-35(3)53(75)70-49(27-41-30-61-33-65-41)58(80)72-23-11-14-42(72)31-63-46(52(59)74)24-38-12-7-6-8-13-38)71-54(76)36(4)66-55(77)47(25-39-28-62-45-16-10-9-15-44(39)45)69-56(78)48(26-40-29-60-32-64-40)68-50(73)22-19-37-17-20-43(81-5)21-18-37/h6-10,12-13,15-18,20-21,28-30,32-36,42,46-49,51,62-63H,11,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,42-,46+,47+,48+,49+,51+/m1/s1 |
PubChem CID | 10057033 |
ChEMBL | CHEMBL429542 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
119790 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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