Ki Summary

Reaction Details

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Target

Phospholipase A2, membrane associated

Ligand

BDBM50428491

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_943475 (CHEMBL2342415)

IC50

155000±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 Lett23:340-5 (2012) [PubMed] Article

More Info.:

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Phospholipase A2, membrane associated

Name:

Phospholipase A2, membrane associated

Synonyms:

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:

MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDAT
DRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFAR
NKTTYNKKYQYYSNKHCRGSTPRC

BDBM50428491

n/a

Name

BDBM50428491

Synonyms:

CHEMBL2335198

Type

Small organic molecule

Emp. Form.

C29H35N11O9S

Mol. Mass.

713.721

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)=O |r,wU:27.29,42.44,(6.91,-18.61,;5.37,-18.45,;4.35,-19.6,;2.94,-18.97,;1.61,-19.74,;.27,-18.97,;.27,-17.43,;-1.07,-19.74,;-2.4,-18.97,;-3.73,-19.74,;-3.73,-21.28,;-2.38,-22.05,;-1.06,-21.28,;3.1,-17.43,;4.61,-17.11,;5.23,-15.7,;6.73,-15.38,;6.89,-13.85,;5.49,-13.23,;4.46,-14.37,;8.22,-13.08,;8.22,-11.54,;9.56,-13.85,;10.89,-13.07,;12.22,-13.85,;12.22,-15.39,;13.56,-13.07,;14.89,-13.85,;14.89,-15.39,;16.23,-16.15,;16.23,-17.69,;17.57,-18.47,;17.57,-20.01,;16.23,-20.78,;18.9,-20.78,;16.23,-13.07,;16.23,-11.53,;17.57,-13.85,;18.9,-13.07,;20.24,-13.85,;20.24,-15.39,;21.57,-13.07,;22.91,-13.85,;22.91,-15.39,;24.24,-16.15,;25.57,-15.39,;24.24,-17.69,;24.24,-13.07,;25.56,-13.84,;24.24,-11.53,)|

Structure