Reaction Details Report a problem with these data
Target
Phospholipase A2, membrane associated
Ligand
BDBM50428495
Substrate
n/a
Meas. Tech.
ChEMBL_943475 (CHEMBL2342415)
IC50
71000±n/a nM
Citation
 Ye, L; Dickerson, T; Kaur, H; Takada, YK; Fujita, M; Liu, R; Knapp, JM; Lam, KS; Schore, NE; Kurth, MJ; Takada, Y Identification of inhibitors against interaction between pro-inflammatory sPLA2-IIA protein and integrinavß3. Bioorg Med Chem Lett 23:340-5 (2012) [PubMed]  Article 
Target
Name:
Phospholipase A2, membrane associated
Synonyms:
GIIC sPLA2 | Group IIA phospholipase A2 | NPS-PLA2 | Non-Pancreatic Secretory Phospholipase A2 | Non-pancreatic secretory phospholipase A2 (hnps-PLA2) | PA2GA_HUMAN | PLA2B | PLA2G2A | PLA2L | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2 group IIA | RASF-A
Type:
Hydrolase
Mol. Mass.:
16101.20
Organism:
Homo sapiens (Human)
Description:
The human nps PLA2 was cloned, and expressed in E. coli. There was a refolding process in the purification.
Residue:
144
Sequence:
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDATDRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFARNKTTYNKKYQYYSNKHCRGSTPRC
  
Inhibitor
Name:
BDBM50428495
Synonyms:
CHEMBL2335207
Type:
Small organic molecule
Emp. Form.:
C37H45N13O15S
Mol. Mass.:
943.896
SMILES:
Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,58.60,wD:50.52,(34.05,-39.55,;32.52,-39.39,;31.5,-40.53,;30.1,-39.91,;28.77,-40.68,;27.44,-39.91,;27.44,-38.38,;26.11,-40.68,;24.79,-39.91,;23.46,-40.68,;23.46,-42.21,;24.8,-42.98,;26.12,-42.21,;30.26,-38.39,;31.75,-38.07,;32.38,-36.66,;33.88,-36.34,;34.03,-34.81,;32.63,-34.2,;31.61,-35.34,;35.36,-34.05,;35.35,-32.51,;36.68,-34.81,;38.02,-34.04,;39.35,-34.81,;39.35,-36.35,;40.69,-34.04,;42.02,-34.81,;42.02,-36.35,;43.36,-37.12,;43.36,-38.66,;44.7,-39.43,;44.7,-40.98,;43.36,-41.75,;46.03,-41.75,;43.36,-34.04,;43.36,-32.5,;44.7,-34.81,;46.03,-34.04,;47.37,-34.81,;47.37,-36.35,;48.7,-34.04,;50.04,-34.81,;50.04,-36.35,;51.37,-37.12,;52.71,-36.35,;51.37,-38.66,;51.37,-34.04,;51.37,-32.5,;52.71,-34.81,;54.04,-34.04,;54.04,-32.5,;55.38,-31.72,;56.71,-32.5,;55.38,-30.18,;55.38,-34.81,;55.38,-36.35,;56.71,-34.04,;58.05,-34.81,;58.05,-36.35,;59.38,-37.12,;60.72,-36.35,;59.38,-38.66,;59.38,-34.04,;60.72,-34.81,;59.38,-32.5,)|
Structure:
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