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Name | CHEMBL129953 |
---|---|
Molecular formula | C40H69N10O8+ |
IUPAC name | [(4S)-4-amino-5-[[N'-[(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]amino]-5-oxopentyl]-trimethylazanium |
Molecular weight | 818.054 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 9 |
XlogP | -0.4 |
Synonyms | BDBM50133200 Compound KK12 |
Inchi Key | LVYZUBJXPNPGQM-GCNYMACQSA-O |
Inchi ID | InChI=1S/C40H68N10O8/c1-8-25(4)33(37(55)46-31(39(57)58)22-24(2)3)47-35(53)30(23-26-15-17-27(51)18-16-26)45-36(54)32-14-10-20-49(32)38(56)29(42)12-9-19-44-40(43)48-34(52)28(41)13-11-21-50(5,6)7/h15-18,24-25,28-33H,8-14,19-23,41-42H2,1-7H3,(H7-,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t25-,28-,29-,30-,31-,32-,33-/m0/s1 |
PubChem CID | 44354154 |
ChEMBL | CHEMBL129953 |
IUPHAR | N/A |
BindingDB | 50133200 |
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 |
---|---|---|---|---|---|
197834 | Neurotensin receptor type 1 | P30989 | NTSR1 | Homo sapiens (Human) | 418 |
197835 | Neurotensin receptor type 2 | O95665 | NTSR2 | Homo sapiens (Human) | 410 |
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