Reaction Details Report a problem with these data
Target
Actin, cytoplasmic 1
Ligand
BDBM50175059
Substrate
n/a
Meas. Tech.
ChEMBL_326929 (CHEMBL854322)
IC50
1000±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:
BDBM50175059
Synonyms:
3-[(3S,6R,9R,15R,18S,21R,24R,30S,33R,36R,42R,45S,48R,51R)-18,45-bis(4-aminobutyl)-6,33-dibenzyl-48-(2-carbamoylethyl)-15,42-bis(1H-indol-2-ylmethyl)-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,41,44,47,50-tetradecaoxo-1,4,7,13,16,19,22,28,31,34,40,43,46,49-tetradecaazapentacyclo[49.3.0.0^{9,13}.0^{24,28}.0^{36,40}]tetrapentacontan-21-yl]propanamide | CHEMBL428169
Type:
Small organic molecule
Emp. Form.:
C94H128N20O16
Mol. Mass.:
1794.1465
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]2CCCN2C1=O
Structure:
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