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Name | Bombesin(7-13) |
---|---|
Molecular formula | C38H56N12O8 |
IUPAC name | (2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide |
Molecular weight | 808.942 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | -0.8 |
Synonyms | CHEMBL144197 |
Inchi Key | WOMKBSQDYHBBCL-KWFCFTPKSA-N |
Inchi ID | InChI=1S/C38H56N12O8/c1-19(2)12-27(33(41)53)48-37(57)29(14-23-16-42-18-45-23)47-31(52)17-44-38(58)32(20(3)4)50-34(54)21(5)46-36(56)28(49-35(55)25(39)10-11-30(40)51)13-22-15-43-26-9-7-6-8-24(22)26/h6-9,15-16,18-21,25,27-29,32,43H,10-14,17,39H2,1-5H3,(H2,40,51)(H2,41,53)(H,42,45)(H,44,58)(H,46,56)(H,47,52)(H,48,57)(H,49,55)(H,50,54)/t21-,25-,27-,28-,29-,32-/m0/s1 |
PubChem CID | 10557335 |
ChEMBL | CHEMBL144197 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
378449 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
378450 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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