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Name | DPhe6-Bn(6-13)hydrazide |
---|---|
Molecular formula | C47H66N14O9 |
IUPAC name | (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-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]pentanediamide |
Molecular weight | 971.134 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 13 |
XlogP | 0.3 |
Synonyms | BDBM85501 |
Inchi Key | MEDVDTBZNUFBBB-VCKQZXTJSA-N |
Inchi ID | InChI=1S/C47H66N14O9/c1-25(2)17-35(46(69)61-50)58-45(68)37(20-30-22-51-24-54-30)56-39(63)23-53-47(70)40(26(3)4)60-41(64)27(5)55-44(67)36(19-29-21-52-33-14-10-9-13-31(29)33)59-43(66)34(15-16-38(49)62)57-42(65)32(48)18-28-11-7-6-8-12-28/h6-14,21-22,24-27,32,34-37,40,52H,15-20,23,48,50H2,1-5H3,(H2,49,62)(H,51,54)(H,53,70)(H,55,67)(H,56,63)(H,57,65)(H,58,68)(H,59,66)(H,60,64)(H,61,69)/t27-,32+,34-,35-,36-,37-,40-/m0/s1 |
PubChem CID | 57340147 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85501 |
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 |
---|---|---|---|---|---|
203299 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
203297 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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