Reaction Details Report a problem with these data
Target
Ricin
Ligand
BDBM50580245
Substrate
n/a
Meas. Tech.
ChEMBL_2147708 (CHEMBL5032054)
IC50
14000±n/a nM
Citation
 Li, XP; Harijan, RK; Cao, B; Kahn, JN; Pierce, M; Tsymbal, AM; Roberge, JY; Augeri, D; Tumer, NE Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J Med Chem 64:15334-15348 (2021) [PubMed]  Article 
Target
Name:
Ricin
Synonyms:
RICI_RICCO
Type:
PROTEIN
Mol. Mass.:
64090.82
Organism:
Ricinus communis
Description:
ChEMBL_1286970
Residue:
576
Sequence:
MKPGGNTIVIWMYAVATWLCFGSTSGWSFTLEDNNIFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALMVYRCAPPPSSQFSLLIRPVVPNFNADVCMDPEPIVRIVGRNGLCVDVRDGRFHNGNAIQLWPCKSNTDANQLWTLKRDNTIRSNGKCLTTYGYSPGVYVMIYDCNTAATDATRWQIWDNGTIINPRSSLVLAATSGNSGTTLTVQTNIYAVSQGWLPTNNTQPFVTTIVGLYGLCLQANSGQVWIEDCSSEKAEQQWALYADGSIRPQQNRDNCLTSDSNIRETVVKILSCGPASSGQRWMFKNDGTILNLYSGLVLDVRASDPSLKQIILYPLHGDPNQIWLPLF
  
Inhibitor
Name:
BDBM50580245
Synonyms:
CHEMBL5081858
Type:
Small organic molecule
Emp. Form.:
C13H12O2S
Mol. Mass.:
232.298
SMILES:
Cc1cccc(C)c1-c1ccc(s1)C(O)=O
Structure:
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