chemerin C-terminal peptide   Click here for help

GtoPdb Ligand ID: 3422

Synonyms: bioactive chemerin peptide | chemerin 149-157 | chemerin 9 | chemerin-9
Compound class: Peptide
Comment: Synthesised C-terminal nonapeptide of mature chemerin. Analysis of a high-resolution cryo-EM structures of both the apo state of the chemerin chemokine-like receptor 2 (GPR1), and with C9-bound into receptor's transmembrane binding pocket, reveals the mechanics of ligand-induced receptor activation [3].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1ccccc1)CCC(=O)N)Cc1ccccc1)C)Cc1ccccc1
Isomeric SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O
InChI InChI=1S/C54H66N10O13/c1-32(47(69)60-41(28-34-14-7-3-8-15-34)51(73)63-43(31-65)54(76)77)58-50(72)40(27-33-12-5-2-6-13-33)61-49(71)39(23-24-45(56)67)59-46(68)30-57-52(74)44-18-11-25-64(44)53(75)42(29-35-16-9-4-10-17-35)62-48(70)38(55)26-36-19-21-37(66)22-20-36/h2-10,12-17,19-22,32,38-44,65-66H,11,18,23-31,55H2,1H3,(H2,56,67)(H,57,74)(H,58,72)(H,59,68)(H,60,69)(H,61,71)(H,62,70)(H,63,73)(H,76,77)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChI Key QLVGSBXIQFERFK-NBBYSTNSSA-N
Classification Click here for help
Compound class Peptide
Synonyms Click here for help
bioactive chemerin peptide | chemerin 149-157 | chemerin 9 | chemerin-9
Database Links Click here for help
Specialist databases
GPCRdb Ligand chemerin C-terminal peptide
Other databases
CAS Registry No. 676367-27-4 (source: Scifinder)
GtoPdb PubChem SID 178100428
PubChem CID 11332190
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UniChem Connectivity Search for chemical match using the InChIKey QLVGSBXIQFERFK-NBBYSTNSSA-N