You can:
Name | CHEMBL216420 |
---|---|
Molecular formula | C60H78N14O11 |
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-(3,4,5-trimethoxyphenyl)propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1171.37 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | 3.3 |
Synonyms | N/A |
Inchi Key | AXOIFGMCEYFOMU-IWKRFJIRSA-N |
Inchi ID | InChI=1S/C60H78N14O11/c1-34(2)52(59(81)69-35(3)55(77)72-48(27-41-30-63-33-67-41)60(82)74-21-13-16-42(74)31-65-45(54(61)76)22-37-14-9-8-10-15-37)73-56(78)36(4)68-57(79)46(25-39-28-64-44-18-12-11-17-43(39)44)71-58(80)47(26-40-29-62-32-66-40)70-51(75)20-19-38-23-49(83-5)53(85-7)50(24-38)84-6/h8-12,14-15,17-18,23-24,28-30,32-36,42,45-48,52,64-65H,13,16,19-22,25-27,31H2,1-7H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t35-,36+,42-,45+,46+,47+,48+,52+/m1/s1 |
PubChem CID | 10441327 |
ChEMBL | CHEMBL216420 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
16905 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218