[des-Arg10]kallidin   

GtoPdb Ligand ID: 644

Synonyms: [Lys,des-Arg9]bradykinin | kallidin1-9 | Lys-[des-Arg9]-bradykinin | Lys-[des-Arg9]BK
Species: Human
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N
InChI InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChI Key AILVBOHFGXNHCC-TZPCGENMSA-N
Classification
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Synonyms
[Lys,des-Arg9]bradykinin | kallidin1-9 | Lys-[des-Arg9]-bradykinin | Lys-[des-Arg9]BK
Gene/Precursor
Gene symbol Gene name Species Precursor protein name Synonyms
KNG1 kininogen 1 Human kininogen-1 precursor alpha-2-thiol proteinase inhibitor, BDK, bradykinin, kininogen, KNG
Database Links
BindingDB Ligand 50156454
CAS Registry No. 71800-36-7 (source: Scifinder)
ChEMBL Ligand CHEMBL264100
GtoPdb PubChem SID 135652109
PubChem CID 122227
Search Google for chemical match using the InChIKey AILVBOHFGXNHCC-TZPCGENMSA-N
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Search UniChem for chemical match using the InChIKey AILVBOHFGXNHCC-TZPCGENMSA-N
Search UniChem for chemicals with the same backbone AILVBOHFGXNHCC
UniProtKB P01042 (Hs)

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Tocris
Lys-[Des-Arg9]Bradykinin
Cat. No. 3225