Reaction Details Report a problem with these data
Target
Prostate-specific antigen
Ligand
BDBM50326051
Substrate
n/a
Meas. Tech.
ChEMBL_655597 (CHEMBL1244641)
Kd
2900±n/a nM
Citation
 Heinis, C; Rutherford, T; Freund, S; Winter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol 5:502-7 (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:
BDBM50326051
Synonyms:
(2R,5S,8S,11R,14S,17S,20S)-14,17-bis((1H-imidazol-5-yl)methyl)-8-((1H-indol-3-yl)methyl)-20-((2S,5R,8S,11S,14S,17R)-17-amino-2-sec-butyl-8-(4-hydroxybenzyl)-14-isopropyl-18-mercapto-5-(mercaptomethyl)-11-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecanamido)-5-((R)-1-hydroxyethyl)-2,11-bis(mercaptomethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazatricosane-1,23-dioic acid | CHEMBL1240616
Type:
Small organic molecule
Emp. Form.:
C67H94N18O18S4
Mol. Mass.:
1567.833
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: