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Target
Proteinase-activated receptor 2
Ligand
BDBM50553232
Substrate
n/a
Meas. Tech.
ChEMBL_2045583 (CHEMBL4700282)
EC50
73±n/a nM
Citation
 Majewski, MW; Gandhi, DM; Holyst, T; Wang, Z; Hernandez, I; Rosas, R; Zhu, J; Weiler, H; Dockendorff, C Synthesis and initial pharmacology of dual-targeting ligands for putative complexes of integrin ?V?3 and PAR2. RSC Med Chem 11:940-949 (2020) [PubMed]  Article 
Target
Name:
Proteinase-activated receptor 2
Synonyms:
F2RL1 | GPR11 | PAR2 | PAR2_HUMAN
Type:
PROTEIN
Mol. Mass.:
44152.54
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1497756
Residue:
397
Sequence:
MRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY
  
Inhibitor
Name:
BDBM50553232
Synonyms:
CHEMBL4782345
Type:
Small organic molecule
Emp. Form.:
C58H98F6N14O19
Mol. Mass.:
1409.4715
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCn1cc(COC)nn1 |r|
Structure:
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