Reaction Details Report a problem with these data
Target
Ricin
Ligand
BDBM50420406
Substrate
n/a
Meas. Tech.
ChEMBL_840713 (CHEMBL2090455)
IC50
400000±n/a nM
Citation
 Pruet, JM; Saito, R; Manzano, LA; Jasheway, KR; Wiget, PA; Kamat, I; Anslyn, EV; Robertus, JD Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A. ACS Med Chem Lett 3:588-591 (2012) [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:
BDBM50420406
Synonyms:
CHEMBL2089313
Type:
Small organic molecule
Emp. Form.:
C23H20N8O4
Mol. Mass.:
472.4561
SMILES:
Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCc1c[nH]c2ccccc12
Structure:
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