You can:
Name | CHEMBL2111954 |
---|---|
Molecular formula | C59H74N14O10 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-hydroxy-3-oxopropyl]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-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1139.33 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 2.4 |
Synonyms | BDBM50407274 |
Inchi Key | SIWWBMPDKOPPFT-WQPIWFEDSA-N |
Inchi ID | InChI=1S/C59H74N14O10/c1-34(2)52(58(82)67-35(3)54(78)71-47(27-41-31-62-33-65-41)59(83)73-23-13-20-48(73)49(74)28-51(76)68-44(53(60)77)24-38-16-9-6-10-17-38)72-55(79)36(4)66-56(80)45(25-39-29-63-43-19-12-11-18-42(39)43)70-57(81)46(26-40-30-61-32-64-40)69-50(75)22-21-37-14-7-5-8-15-37/h5-12,14-19,29-36,44-49,52,63,74H,13,20-28H2,1-4H3,(H2,60,77)(H,61,64)(H,62,65)(H,66,80)(H,67,82)(H,68,76)(H,69,75)(H,70,81)(H,71,78)(H,72,79)/t35-,36-,44-,45-,46-,47-,48-,49?,52-/m0/s1 |
PubChem CID | 71459894 |
ChEMBL | CHEMBL2111954 |
IUPHAR | N/A |
BindingDB | 50407274 |
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 |
---|---|---|---|---|---|
315487 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218