Reaction Details Report a problem with these data
Target
P-selectin
Ligand
BDBM50205385
Substrate
n/a
Meas. Tech.
ChEMBL_428317 (CHEMBL917095)
IC50
2100±n/a nM
Citation
 Kranich, R; Busemann, AS; Bock, D; Schroeter-Maas, S; Beyer, D; Heinemann, B; Meyer, M; Schierhorn, K; Zahlten, R; Wolff, G; Aydt, EM Rational design of novel, potent small molecule pan-selectin antagonists. J Med Chem 50:1101-15 (2007) [PubMed]  Article 
Target
Name:
P-selectin
Synonyms:
GMRP | GRMP | LYAM3_HUMAN | P-selectin | P-selectin/P-selectin glycoprotein ligand 1 | SELP
Type:
PROTEIN
Mol. Mass.:
90834.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438999
Residue:
830
Sequence:
MANCQIAILYQRFQRVVFGISQLLCFSALISELTNQKEVAAWTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYWIGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSAPGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYGPECEYVRECGELELPQHVLMNCSHPLGNFSFNSQCSFHCTDGYQVNGPSKLECLASGIWTNKPPQCLAAQCPPLKIPERGNMTCLHSAKAFQHQSSCSFSCEEGFALVGPEVVQCTASGVWTAPAPVCKAVQCQHLEAPSEGTMDCVHPLTAFAYGSSCKFECQPGYRVRGLDMLRCIDSGHWSAPLPTCEAISCEPLESPVHGSMDCSPSLRAFQYDTNCSFRCAEGFMLRGADIVRCDNLGQWTAPAPVCQALQCQDLPVPNEARVNCSHPFGAFRYQSVCSFTCNEGLLLVGASVLQCLATGNWNSVPPECQAIPCTPLLSPQNGTMTCVQPLGSSSYKSTCQFICDEGYSLSGPERLDCTRSGRWTDSPPMCEAIKCPELFAPEQGSLDCSDTRGEFNVGSTCHFSCDNGFKLEGPNNVECTTSGRWSATPPTCKGIASLPTPGLQCPALTTPGQGTMYCRHHPGTFGFNTTCYFGCNAGFTLIGDSTLSCRPSGQWTAVTPACRAVKCSELHVNKPIAMNCSNLWGNFSYGSICSFHCLEGQLLNGSAQTACQENGHWSTTVPTCQAGPLTIQEALTYFGGAVASTIGLIMGGTLLALLRKRFRQKDDGKCPLNPHSHLGTYGVFTNAAFDPSP
  
Inhibitor
Name:
BDBM50205385
Synonyms:
CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-phenyl}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C16H15NO6
Mol. Mass.:
317.2934
SMILES:
OC(=O)Cc1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1
Structure:
Search PDB for entries with ligand similarity: