Reaction Details Report a problem with these data
Target
Prolyl endopeptidase FAP
Ligand
BDBM50050513
Substrate
n/a
Meas. Tech.
ChEMBL_949253 (CHEMBL2346129)
IC50
12±n/a nM
Citation
 Poplawski, SE; Lai, JH; Li, Y; Jin, Z; Liu, Y; Wu, W; Wu, Y; Zhou, Y; Sudmeier, JL; Sanford, DG; Bachovchin, WW Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase. J Med Chem 56:3467-77 (2013) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase FAP
Synonyms:
170 kDa melanoma membrane-bound gelatinase | FAP | Fibroblast Activation Protein (FAP) | Fibroblast activation protein alpha | Integral membrane serine protease | SEPR_HUMAN | Seprase
Type:
Enzyme
Mol. Mass.:
87712.48
Organism:
Homo sapiens (Human)
Description:
Q12884
Residue:
760
Sequence:
MKTWVKIVFGVATSAVLALLVMCIVLRPSRVHNSEENTMRALTLKDILNGTFSYKTFFPNWISGQEYLHQSADNNIVLYNIETGQSYTILSNRTMKSVNASNYGLSPDRQFVYLESDYSKLWRYSYTATYYIYDLSNGEFVRGNELPRPIQYLCWSPVGSKLAYVYQNNIYLKQRPGDPPFQITFNGRENKIFNGIPDWVYEEEMLATKYALWWSPNGKFLAYAEFNDTDIPVIAYSYYGDEQYPRTINIPYPKAGAKNPVVRIFIIDTTYPAYVGPQEVPVPAMIASSDYYFSWLTWVTDERVCLQWLKRVQNVSVLSICDFREDWQTWDCPKTQEHIEESRTGWAGGFFVSTPVFSYDAISYYKIFSDKDGYKHIHYIKDTVENAIQITSGKWEAINIFRVTQDSLFYSSNEFEEYPGRRNIYRISIGSYPPSKKCVTCHLRKERCQYYTASFSDYAKYYALVCYGPGIPISTLHDGRTDQEIKILEENKELENALKNIQLPKEEIKKLEVDEITLWYKMILPPQFDRSKKYPLLIQVYGGPCSQSVRSVFAVNWISYLASKEGMVIALVDGRGTAFQGDKLLYAVYRKLGVYEVEDQITAVRKFIEMGFIDEKRIAIWGWSYGGYVSSLALASGTGLFKCGIAVAPVSSWEYYASVYTERFMGLPTKDDNLEHYKNSTVMARAEYFRNVDYLLIHGTADDNVHFQNSAQIAKALVNAQVDFQAMWYSDQNHGLSGLSTNHLYTHMTHFLKQCFSLSD
  
Inhibitor
Name:
BDBM50050513
Synonyms:
(R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-ylboronic acid | (S)-2-Amino-1-((R)-2-dihydroxyboron-pyrrolidin-1-yl)-3-methyl-butan-1-one | (S)-2-Amino-3-methyl-2-boronic acid-1-pyrrolidin-1-yl-butan-1-one | Boronic acid derivative | CHEMBL67279 | Ketopyrrolidine derivative | Pyrrolidine derivative | US11096924, DASH-inhibitors 2504 C | US11504364, Compound Val-boroPro | US11559537, Compound 2054-Val-boro-Pro | US11707539, Compound 2054
Type:
Small organic molecule
Emp. Form.:
C9H19BN2O3
Mol. Mass.:
214.07
SMILES:
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Structure:
Search PDB for entries with ligand similarity: