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Name | BDBM85505 |
---|---|
Molecular formula | C62H74N14O10S |
IUPAC name | (2S)-N-[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanediamide |
Molecular weight | 1207.42 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 14 |
XlogP | 2.5 |
Synonyms | Substance P(4-11),[Dpro4,Dtrp7,9,10] |
Inchi Key | SFUBGXWEUDKBIR-BPCGRTHRSA-N |
Inchi ID | InChI=1S/C62H74N14O10S/c1-87-27-25-45(55(65)79)70-60(84)50(29-36-32-67-42-17-8-5-14-39(36)42)76-62(86)52(31-38-34-69-44-19-10-7-16-41(38)44)75-59(83)49(28-35-12-3-2-4-13-35)73-61(85)51(30-37-33-68-43-18-9-6-15-40(37)43)74-58(82)48(22-24-54(64)78)72-57(81)47(21-23-53(63)77)71-56(80)46-20-11-26-66-46/h2-10,12-19,32-34,45-52,66-69H,11,20-31H2,1H3,(H2,63,77)(H2,64,78)(H2,65,79)(H,70,84)(H,71,80)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H,76,86)/t45-,46-,47-,48-,49-,50+,51+,52+/m0/s1 |
PubChem CID | 57340151 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85505 |
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 |
---|---|---|---|---|---|
313231 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
313232 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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