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Name | BDBM85490 |
---|---|
Molecular formula | C50H69N15O9 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S)-2-amino-1-cyano-2-oxoethyl]amino]-4-methylpentan-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]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide |
Molecular weight | 1024.2 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 13 |
XlogP | 0.2 |
Synonyms | DPhe6,Leu13,Psi(CH2NH),Cpa14-Bn(6-14) |
Inchi Key | MUECHSOUQHGDJW-WQMOPFCMSA-N |
Inchi ID | InChI=1S/C50H69N15O9/c1-27(2)17-33(24-57-40(21-51)44(54)68)61-49(73)39(20-32-23-55-26-59-32)62-42(67)25-58-50(74)43(28(3)4)65-45(69)29(5)60-48(72)38(19-31-22-56-36-14-10-9-13-34(31)36)64-47(71)37(15-16-41(53)66)63-46(70)35(52)18-30-11-7-6-8-12-30/h6-14,22-23,26-29,33,35,37-40,43,56-57H,15-20,24-25,52H2,1-5H3,(H2,53,66)(H2,54,68)(H,55,59)(H,58,74)(H,60,72)(H,61,73)(H,62,67)(H,63,70)(H,64,71)(H,65,69)/t29-,33-,35+,37-,38-,39-,40-,43-/m0/s1 |
PubChem CID | 57340144 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85490 |
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 |
---|---|---|---|---|---|
214283 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
214284 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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