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Name | CHEMBL3349531 |
---|---|
Molecular formula | C36H47N7O6S |
IUPAC name | 3-[(2S,5S,8S,11S,14S)-8-benzyl-5-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-14-(2-methylsulfanylethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanamide |
Molecular weight | 705.875 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 7 |
XlogP | 2.8 |
Synonyms | Cyclo(L-Gln-L-Trp-L-Phe-L-Leu-L-Met-) |
Inchi Key | DEKUMZCJPNNXOG-IIZANFQQSA-N |
Inchi ID | InChI=1S/C36H47N7O6S/c1-21(2)17-28-34(47)40-27(15-16-50-3)33(46)39-26(13-14-31(37)44)32(45)43-30(19-23-20-38-25-12-8-7-11-24(23)25)36(49)42-29(35(48)41-28)18-22-9-5-4-6-10-22/h4-12,20-21,26-30,38H,13-19H2,1-3H3,(H2,37,44)(H,39,46)(H,40,47)(H,41,48)(H,42,49)(H,43,45)/t26-,27-,28-,29-,30-/m0/s1 |
PubChem CID | 10327435 |
ChEMBL | CHEMBL3349531 |
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 |
---|---|---|---|---|---|
443969 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417