Drug Information

Drug General Information
Drug ID
D0V0LY
Former ID
DNC005148
Drug Name
Des-Arg10-Leu9-Kallidin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527294]
Structure
Download
2D MOL

3D MOL
Formula
C47H75N13O11
Canonical SMILES
CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CC=CC<br />=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N<br />C(=O)C(CCCCN)N
InChI
1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey
AGTPZUQKOYEAOH-MDKUUQCZSA-N
PubChem Compound ID
5310951
Target and Pathway
Target(s) B1 bradykinin receptor Target Info Inhibitor [527294]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Pathways in cancer
NetPath Pathway Leptin Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
G alpha (i) signalling events
WikiPathways Complement and Coagulation Cascades
ACE Inhibitor Pathway
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Vitamin D Receptor Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527294Bioorg Med Chem Lett. 2004 Dec 20;14(24):6045-8.Development of an efficient and selective radioligand for bradykinin B1 receptor occupancy studies.
Ref 527294Bioorg Med Chem Lett. 2004 Dec 20;14(24):6045-8.Development of an efficient and selective radioligand for bradykinin B1 receptor occupancy studies.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.