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Name | CHEMBL267459 |
---|---|
Molecular formula | C40H67N11O6 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 798.047 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | -0.7 |
Synonyms | (S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-amino-5-guanidino-pentylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid BDBM50286865 |
Inchi Key | BDDQPVXNVCKAQG-UAKSOMLXSA-N |
Inchi ID | InChI=1S/C40H67N11O6/c1-24(2)20-31(38(56)57)49-36(54)33(40(3,4)5)50-34(52)30(21-25-22-46-28-14-7-6-13-27(25)28)48-35(53)32-16-11-19-51(32)37(55)29(15-8-9-17-41)47-23-26(42)12-10-18-45-39(43)44/h6-7,13-14,22,24,26,29-33,46-47H,8-12,15-21,23,41-42H2,1-5H3,(H,48,53)(H,49,54)(H,50,52)(H,56,57)(H4,43,44,45)/t26-,29-,30-,31-,32+,33+/m0/s1 |
PubChem CID | 44264233 |
ChEMBL | CHEMBL267459 |
IUPHAR | N/A |
BindingDB | 50286865 |
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 |
---|---|---|---|---|---|
20829 | Neurotensin receptor type 1 | O88319 | Ntsr1 | Mus musculus (Mouse) | 424 |
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