Reaction Details Report a problem with these data
Target
Mucosal addressin cell adhesion molecule 1
Ligand
BDBM50291323
Substrate
n/a
Meas. Tech.
ChEBML_100378
IC50
298000±n/a nM
Citation
 Carson, KG; Schwender, CF; Shroff, HN; Cochran, NA; Gallant, DL; Briskin, MJ Sulfonopeptide inhibitors of leukocyte adhesion Bioorg Med Chem Lett 7:711-714 (1997)    Article 
Target
Name:
Mucosal addressin cell adhesion molecule 1
Synonyms:
MADCAM1 | MADCA_HUMAN | Mucosal addressin cell adhesion molecule 1 | Mucosal addressin cell adhesion molecule-1 | hMAdCAM-1
Type:
PROTEIN
Mol. Mass.:
40144.71
Organism:
Homo sapiens (Human)
Description:
ChEMBL_100378
Residue:
382
Sequence:
MDFGLALLLAGLLGLLLGQSLQVKPLQVEPPEPVVAVALGASRQLTCRLACADRGASVQWRGLDTSLGAVQSDTGRSVLTVRNASLSAAGTRVCVGSCGGRTFQHTVQLLVYAFPDQLTVSPAALVPGDPEVACTAHKVTPVDPNALSFSLLVGGQELEGAQALGPEVQEEEEEPQGDEDVLFRVTERWRLPPLGTPVPPALYCQATMRLPGLELSHRQAIPVLHSPTSPEPPDTTSPESPDTTSPESPDTTSQEPPDTTSPEPPDKTSPEPAPQQGSTHTPRSPGSTRTRRPEISQAGPTQGEVIPTGSSKPAGDQLPAALWTSSAVLGLLLLALPTYHLWKRCRHLAEDDTHPPASLRLLPQVSAWAGLRGTGQVGISPS
  
Inhibitor
Name:
BDBM50291323
Synonyms:
(S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-N-{(1S,2R)-1-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-2-hydroxy-propyl}-succinamic acid | 3-{1-[1-(1-carbamoyl-3-methylbutylcarbamoyl)-2-hydroxyethylcarbamoyl]-2-hydroxypropylcarbamoyl}-3-(3-methyl-1-methylcarboxamidobutylcarboxamido)propanoic acid | CHEMBL310968
Type:
Small organic molecule
Emp. Form.:
C25H44N6O10
Mol. Mass.:
588.6511
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(N)=O
Structure:
Search PDB for entries with ligand similarity: