Reaction Details Report a problem with these data
Target
Actin, cytoplasmic 1
Ligand
BDBM50175058
Substrate
n/a
Meas. Tech.
ChEMBL_326929 (CHEMBL854322)
IC50
2000±n/a nM
Citation
 Perlman, ZE; Bock, JE; Peterson, JR; Lokey, RS Geometric diversity through permutation of backbone configuration in cyclic peptide libraries. Bioorg Med Chem Lett 15:5329-34 (2005) [PubMed]  Article 
Target
Name:
Actin, cytoplasmic 1
Synonyms:
ACTB_XENLA | actb | beta-actin
Type:
PROTEIN
Mol. Mass.:
41758.76
Organism:
Xenopus laevis
Description:
ChEMBL_326929
Residue:
375
Sequence:
MEDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTYNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYDESGPSIVHRKCF
  
Inhibitor
Name:
BDBM50175058
Synonyms:
CHEMBL436918 | cyclo[L-Lys-D-Phe-D-Pro-D-Phe-L-Phe-D-Pro-L-Gln]2
Type:
Small organic molecule
Emp. Form.:
C96H122N18O16
Mol. Mass.:
1784.1069
SMILES:
NCCCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
Structure:
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