Reaction Details Report a problem with these data
Target
Ricin
Ligand
BDBM50580244
Substrate
n/a
Meas. Tech.
ChEMBL_2147708 (CHEMBL5032054)
IC50
48000±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:
BDBM50580244
Synonyms:
CHEMBL5090353
Type:
Small organic molecule
Emp. Form.:
C14H14O2S
Mol. Mass.:
246.325
SMILES:
Cc1cc(C)c(-c2ccc(s2)C(O)=O)c(C)c1
Structure:
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