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Name | PG-L |
---|---|
Molecular formula | C62H86N18O16S |
IUPAC name | (4S)-4-amino-5-[[2-[[2-[[2-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-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-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
Molecular weight | 1371.54 |
Hydrogen bond acceptor | 19 |
Hydrogen bond donor | 17 |
XlogP | -5.0 |
Synonyms | BDBM85502 |
Inchi Key | UBHPHYKPMZIFGU-NONSAVTQSA-N |
Inchi ID | InChI=1S/C62H86N18O16S/c1-33(2)53(62(96)71-30-50(84)74-45(25-37-27-66-32-72-37)60(94)77-43(23-35-11-6-5-7-12-35)59(93)75-41(54(65)88)20-22-97-4)79-55(89)34(3)73-58(92)44(24-36-26-67-40-14-9-8-13-38(36)40)78-57(91)42(17-18-47(64)81)76-61(95)46-15-10-21-80(46)51(85)31-69-48(82)28-68-49(83)29-70-56(90)39(63)16-19-52(86)87/h5-9,11-14,26-27,32-34,39,41-46,53,67H,10,15-25,28-31,63H2,1-4H3,(H2,64,81)(H2,65,88)(H,66,72)(H,68,83)(H,69,82)(H,70,90)(H,71,96)(H,73,92)(H,74,84)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,89)(H,86,87)/t34-,39-,41-,42-,43-,44-,45-,46-,53-/m0/s1 |
PubChem CID | 57340148 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85502 |
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 |
---|---|---|---|---|---|
332549 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
332548 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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