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Name | CHEMBL171907 |
---|---|
Molecular formula | C32H60N12O7 |
IUPAC name | (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 724.909 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | -5.2 |
Synonyms | BDBM50281780 (2S,5S)-2-{2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid |
Inchi Key | YSPYREJETFBZLO-CBUBZBNCSA-N |
Inchi ID | InChI=1S/C32H60N12O7/c1-6-18(4)24(28(48)42-22(30(50)51)16-17(2)3)43-25(45)19(5)40-27(47)23-12-9-15-44(23)29(49)21(11-8-14-39-32(36)37)41-26(46)20(33)10-7-13-38-31(34)35/h17-24H,6-16,33H2,1-5H3,(H,40,47)(H,41,46)(H,42,48)(H,43,45)(H,50,51)(H4,34,35,38)(H4,36,37,39)/t18-,19+,20+,21+,22+,23+,24+/m1/s1 |
PubChem CID | 44384830 |
ChEMBL | CHEMBL171907 |
IUPHAR | N/A |
BindingDB | 50281780 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
418275 | Neurotensin receptor type 1 | O88319 | Ntsr1 | Mus musculus (Mouse) | 424 |
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