[Leu8,des-Arg9]bradykinin   Click here for help

GtoPdb Ligand ID: 641

Comment: Synthetic analogue of bradykinin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N
Isomeric SMILES OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N
InChI InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
InChI Key BGAPYBBQGHUQNM-YYGRSCHNSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
B1 receptor Mm Antagonist Antagonist 8.4 pKi - 4
pKi 8.4 [4]
B1 receptor Rn Antagonist Antagonist 7.4 – 7.7 pKi - 5
pKi 7.4 – 7.7 [5]
B1 receptor Hs Antagonist Antagonist 5.8 – 7.2 pKi - 1-3,5,7
pKi 5.8 – 7.2 [1-3,5,7]
B1 receptor Mm Agonist Partial agonist 7.3 pEC50 - 6
pEC50 7.3 [6]