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Name | CHEMBL21892 |
---|---|
Molecular formula | C45H67N11O6 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 858.102 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 10 |
XlogP | 5.5 |
Synonyms | BDBM50282580 (S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-(5-guanidino-pentyloxy)-1H-indole-2-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid with di TFA CHEMBL1178343 |
Inchi Key | DJNDJJWDTNVJJV-NAXWVEBKSA-N |
Inchi ID | InChI=1S/C45H67N11O6/c1-5-28(4)37(41(58)54-35(43(60)61)24-27(2)3)56-40(57)34(25-29-26-52-33-19-11-10-16-30(29)33)53-42(59)39-32(17-9-6-7-12-21-50-44(46)47)31-18-15-20-36(38(31)55-39)62-23-14-8-13-22-51-45(48)49/h10-11,15-16,18-20,26-28,34-35,37,52,55H,5-9,12-14,17,21-25H2,1-4H3,(H,53,59)(H,54,58)(H,56,57)(H,60,61)(H4,46,47,50)(H4,48,49,51)/t28-,34-,35-,37-/m0/s1 |
PubChem CID | 44274487 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50282580 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
61637 | Neurotensin receptor type 1 | P20789 | Ntsr1 | Rattus norvegicus (Rat) | 424 |
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