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Name | Jmv 449 |
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Molecular formula | C38H66N8O7 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 746.995 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 9 |
XlogP | -0.3 |
Synonyms | 139026-66-7 H-Lysyl-psi(CH2NH)-lysyl-prolyl-tyrosyl-isoleucyl-leucine-OH AC1Q5JOW JMV449 GTPL1570 [ Show all ] |
Inchi Key | TZCYVPLNMOJUIL-GULBXNHPSA-N |
Inchi ID | InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32-,33-/m0/s1 |
PubChem CID | 164415 |
ChEMBL | N/A |
IUPHAR | 1570 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
554924 | Neurotensin receptor type 1 | P20789 | Ntsr1 | Rattus norvegicus (Rat) | 424 |
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