ABS-201   Click here for help

GtoPdb Ligand ID: 5308

Synonyms: ABS 201 | ABS201 | HPI-201 | HPI201 | KK13
Comment: ABS-201 (a.k.a. HPI-201) is a synthetic analogue of the C-terminal hexapeptide of neurotensin (Neurotensin[8-13]) that is the essential determinant of its biological activity.
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2D Structure
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Canonical SMILES NCCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(C)(C)C)C(=O)NC(C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C
Isomeric SMILES NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C
InChI InChI=1S/C40H67N9O8/c1-24(2)22-30(38(56)57)47-36(54)32(40(4,5)6)48-34(52)29(23-26-15-17-27(50)18-16-26)46-35(53)31-14-11-21-49(31)37(55)28(13-10-20-44-39(42)43)45-33(51)25(3)12-8-7-9-19-41/h15-18,24-25,28-32,50H,7-14,19-23,41H2,1-6H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,32+/m0/s1
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
ABS 201 | ABS201 | HPI-201 | HPI201 | KK13
Database Links Click here for help
Specialist databases
GPCRdb Ligand ABS-201
Other databases
ChEMBL Ligand CHEMBL1170625
GtoPdb PubChem SID 178101990
PubChem CID 46866109
Search Google for chemical match using the InChIKey BLKOJISPADSFAG-JPDBKSEFSA-N
Search Google for chemicals with the same backbone BLKOJISPADSFAG
UniChem Compound Search for chemical match using the InChIKey BLKOJISPADSFAG-JPDBKSEFSA-N
UniChem Connectivity Search for chemical match using the InChIKey BLKOJISPADSFAG-JPDBKSEFSA-N