[des-Arg9]bradykinin   Click here for help

GtoPdb Ligand ID: 646

Synonyms: [des-Arg9]BK
Compound class: Endogenous peptide in human, mouse or rat
Species: Human, Mouse, Rat
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N
Isomeric SMILES OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N
InChI InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)
InChI Key VCEHWDBVPZFHAG-UHFFFAOYSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
IUPAC Name Click here for help
2-[[1-[2-[[2-[[2-[[1-[1-[2-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 Click here for help
[des-Arg9]BK
Gene/Precursor Click here for help
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
Kng1 kininogen 1 Mouse kininogen-1 precursor H-kininigen, L-kininogen
Kng2 kininogen 2 Rat kininogen-1 precursor alpha-1-MAP, kininogen, kininogen 1, kininogen 1, variant 1, KINKG, KINKH, KINT1G, K-kininogen, differential splicing leads to HMW Kngk, Kng, Kng1, Kng1_v1, Kngk, Kngt, Kngt1, Kng_v1, LMW T-kininogen I, major acute phase protein, Map1, MGC93589, RATKINKG, RATKINKH, RATKINT1G, RATTKG6, thiostatin, Tkg, TKG6, T-kininogen, T-kininogen 1, T-kininogen I, T-kininogen see also D11Elh1 and D11Mit8
Database Links Click here for help
Specialist databases
GPCRdb Ligand [des-Arg9]bradykinin
Other databases
CAS Registry No. 15958-92-6
Ensembl Gene ENSG00000113889 (Hs), ENSMUSG00000022875 (Mm)
GtoPdb PubChem SID 135651731
Human Protein Atlas ENSG00000113889 (Hs)
PubChem CID 5128451
Search Google for chemical match using the InChIKey VCEHWDBVPZFHAG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VCEHWDBVPZFHAG
UniChem Compound Search for chemical match using the InChIKey VCEHWDBVPZFHAG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VCEHWDBVPZFHAG-UHFFFAOYSA-N
UniProtKB P08934 (Rn), O08677 (Mm), P01042 (Hs)