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Name | neurotensin (8-13) |
---|---|
Molecular formula | C38H64N12O8 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 817.006 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | -4.0 |
Synonyms | NT(8-13) CHEMBL415788 60482-95-3 HY-P0251 BDBM50048908 [ Show all ] |
Inchi Key | DQDBCHHEIKQPJD-ODKJCKIQSA-N |
Inchi ID | InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 |
PubChem CID | 5311318 |
ChEMBL | CHEMBL415788 |
IUPHAR | N/A |
BindingDB | 50048908 |
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 |
---|---|---|---|---|---|
444290 | Neurotensin receptor type 1 | P30989 | NTSR1 | Homo sapiens (Human) | 418 |
471090 | Neurotensin receptor type 1 | P20789 | Ntsr1 | Rattus norvegicus (Rat) | 424 |
471091 | Neurotensin receptor type 2 | O95665 | NTSR2 | Homo sapiens (Human) | 410 |
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