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Name | DPhe6-Bn(6-13)methylester |
---|---|
Molecular formula | C48H66N12O10 |
IUPAC name | methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate |
Molecular weight | 971.13 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 11 |
XlogP | 1.6 |
Synonyms | BDBM85496 |
Inchi Key | HPHZTSOYZQMWNM-AQMKAABUSA-N |
Inchi ID | InChI=1S/C48H66N12O10/c1-26(2)18-38(48(69)70-6)59-46(67)37(21-31-23-51-25-54-31)56-40(62)24-53-47(68)41(27(3)4)60-42(63)28(5)55-45(66)36(20-30-22-52-34-15-11-10-14-32(30)34)58-44(65)35(16-17-39(50)61)57-43(64)33(49)19-29-12-8-7-9-13-29/h7-15,22-23,25-28,33,35-38,41,52H,16-21,24,49H2,1-6H3,(H2,50,61)(H,51,54)(H,53,68)(H,55,66)(H,56,62)(H,57,64)(H,58,65)(H,59,67)(H,60,63)/t28-,33+,35-,36-,37-,38-,41-/m0/s1 |
PubChem CID | 10463640 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85496 |
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 |
---|---|---|---|---|---|
120702 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
120703 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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