Reaction Details  Report a problem with these data
Target
Prostate-specific antigen
Ligand
BDBM50298749
Substrate
n/a
Meas. Tech.
ChEMBL_588029 (CHEMBL1048364)
Ki
>1000±n/a nM
Citation
 LeBeau, AM; Banerjee, SR; Pomper, MG; Mease, RC; Denmeade, SR Optimization of peptide-based inhibitors of prostate-specific antigen (PSA) as targeted imaging agents for prostate cancer. Bioorg Med Chem 17:4888-93 (2009) [PubMed]  Article
Target
Name:
Prostate-specific antigen
Synonyms:
APS | Gamma-seminoprotein | KLK3 | KLK3_HUMAN | Kallikrein-3 | P-30 antigen | PSA | Prostate specific antigen | Prostate-specific antigen | Semenogelase | Seminin
Type:
PROTEIN
Mol. Mass.:
28747.53
Organism:
Homo sapiens (Human)
Description:
ChEMBL_959198
Residue:
261
Sequence:
MWVPVVFLTLSVTWIGAAPLILSRIVGGWECEKHSQPWQVLVASRGRAVCGGVLVHPQWVLTAAHCIRNKSVILLGRHSLFHPEDTGQVFQVSHSFPHPLYDMSLLKNRFLRPGDDSSHDLMLLRLSEPAELTDAVKVMDLPTQEPALGTTCYASGWGSIEPEEFLTPKKLQCVDLHVISNDVCAQVHPQKVTKFMLCAGRWTGGKSTCSGDSGGPLVCNGVLQGITSWGSEPCALPERPSLYTKVVHYRKWIKDTIVANP
  
Inhibitor
Name:
BDBM50298749
Synonyms:
(5S,8S,11S)-5,8-bis(hydroxymethyl)-11-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamoyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oic acid | CHEMBL575142
Type:
Small organic molecule
Emp. Form.:
C31H47N5O11
Mol. Mass.:
665.7318
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r|
Structure:
Search PDB for entries with ligand similarity: