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Name | Phyllolitorin, leu-8- |
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Molecular formula | C46H71N11O11S |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-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]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 986.2 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 1.1 |
Synonyms | Leu8-phyllolitorin BDBM85487 (Leu(8))phyllolitorin Pgltavggslm 87734-76-7 [ Show all ] |
Inchi Key | OXNNISAYYLBJKU-IXSLUFBNSA-N |
Inchi ID | InChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1 |
PubChem CID | 5748286 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85487 |
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 |
---|---|---|---|---|---|
252686 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
252687 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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