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Name | Rhodei-Litorin |
---|---|
Molecular formula | C51H69N13O11S |
IUPAC name | N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1072.25 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 13 |
XlogP | 0.6 |
Synonyms | NSC_125988 BDBM85506 CAS_125988 |
Inchi Key | NMFJABRQXAWSEW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C51H69N13O11S/c1-6-27(2)42(63-46(70)36-16-17-40(66)58-36)51(75)62-38(21-31-23-54-34-15-11-10-14-33(31)34)47(71)57-28(3)45(69)64-43(29(4)65)50(74)55-25-41(67)59-39(22-32-24-53-26-56-32)49(73)61-37(20-30-12-8-7-9-13-30)48(72)60-35(44(52)68)18-19-76-5/h7-15,23-24,26-29,35-39,42-43,54,65H,6,16-22,25H2,1-5H3,(H2,52,68)(H,53,56)(H,55,74)(H,57,71)(H,58,66)(H,59,67)(H,60,72)(H,61,73)(H,62,75)(H,63,70)(H,64,69) |
PubChem CID | 57340152 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85506 |
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 |
---|---|---|---|---|---|
226815 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
226814 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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