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Name | DPhe6-Bn[6-14) |
---|---|
Molecular formula | C52H74N14O10S |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-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]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide |
Molecular weight | 1087.31 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 13 |
XlogP | 1.0 |
Synonyms | BDBM85486 |
Inchi Key | JVLKBKLLQYTRQN-BREDEBPXSA-N |
Inchi ID | InChI=1S/C52H74N14O10S/c1-28(2)20-39(50(74)62-37(45(55)69)18-19-77-6)64-51(75)41(23-33-25-56-27-59-33)61-43(68)26-58-52(76)44(29(3)4)66-46(70)30(5)60-49(73)40(22-32-24-57-36-15-11-10-14-34(32)36)65-48(72)38(16-17-42(54)67)63-47(71)35(53)21-31-12-8-7-9-13-31/h7-15,24-25,27-30,35,37-41,44,57H,16-23,26,53H2,1-6H3,(H2,54,67)(H2,55,69)(H,56,59)(H,58,76)(H,60,73)(H,61,68)(H,62,74)(H,63,71)(H,64,75)(H,65,72)(H,66,70)/t30-,35+,37-,38-,39-,40-,41-,44-/m0/s1 |
PubChem CID | 57340141 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85486 |
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 |
---|---|---|---|---|---|
161034 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
161032 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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