Reaction Details Report a problem with these data
Target
Glutathionylspermidine synthase
Ligand
BDBM50118645
Substrate
n/a
Meas. Tech.
ChEMBL_72764 (CHEMBL879021)
Ki
33000±n/a nM
Citation
 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A Glutathione-like tripeptides as inhibitors of glutathionylspermidine synthetase. Part 2: substitution of the glycine part. Bioorg Med Chem Lett 12:2703-5 (2002) [PubMed]  Article 
Target
Name:
Glutathionylspermidine synthase
Synonyms:
GSP | GSP_CRIFA
Type:
PROTEIN
Mol. Mass.:
80299.94
Organism:
Crithidia fasciculata
Description:
ChEMBL_72759
Residue:
719
Sequence:
MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET
  
Inhibitor
Name:
BDBM50118645
Synonyms:
2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-6-(3-amino-propylamino)-hexanoic acid | CHEMBL88542
Type:
Small organic molecule
Emp. Form.:
C20H39N5O6
Mol. Mass.:
445.5536
SMILES:
CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O
Structure:
Search PDB for entries with ligand similarity: