Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270889
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
410±n/a nM
Comments
extracted
Citation
 Mezo, AR; McDonnell, KA; Castro, A; Fraley, C Structure-activity relationships of a peptide inhibitor of the human FcRn:human IgG interaction. Bioorg Med Chem 16:6394-405 (2008) [PubMed]  Article 
Target
Name:
IgG receptor FcRn large subunit p51
Synonyms:
FCGRN_HUMAN | FCGRT | FCRN
Type:
PROTEIN
Mol. Mass.:
39742.86
Organism:
Homo sapiens (Human)
Description:
ChEMBL_627631
Residue:
365
Sequence:
MGVPRPQPWALGLLLFLLPGSLGAESHLSLLYHLTAVSSPAPGTPAFWVSGWLGPQQYLSYNSLRGEAEPCGAWVWENQVSWYWEKETTDLRIKEKLFLEAFKALGGKGPYTLQGLLGCELGPDNTSVPTAKFALNGEEFMNFDLKQGTWGGDWPEALAISQRWQQQDKAANKELTFLLFSCPHRLREHLERGRGNLEWKEPPSMRLKARPSSPGFSVLTCSAFSFYPPELQLRFLRNGLAAGTGQGDFGPNSDGSFHASSSLTVKSGDEHHYCCIVQHAGLAQPLRVELESPAKSSVLVVGIVIGVLLLTAAAVGGALLWRRMRSGLPAPWISLRGDDTGVLLPTPGEAQDADLKDVNVIPATA
  
Inhibitor
Name:
BDBM50270889
Synonyms:
CHEMBL525635
Type:
Small organic molecule
Emp. Form.:
C92H128N24O22S2
Mol. Mass.:
1986.278
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:79.83,57.68,49.52,90.95,35.44,4.4,96.99,111.117,121.126,136.143,8.8,wD:68.79,53.56,24.33,115.120,13.21,(37.1,2.6,;37.1,1.06,;38.43,.29,;35.77,.29,;35.77,-1.25,;34.43,-2.02,;33.1,-1.25,;33.1,.29,;31.77,-2.02,;31.77,-3.56,;30.43,-1.25,;29.1,-2.02,;29.1,-3.56,;27.76,-1.26,;27.77,.28,;29.1,1.05,;30.43,.27,;31.76,1.03,;31.77,2.57,;30.42,3.35,;29.1,2.58,;26.43,-2.02,;25.09,-1.25,;25.09,.29,;23.77,-2.02,;23.77,-3.56,;25.09,-4.33,;26.42,-3.57,;27.75,-4.33,;27.76,-5.87,;26.43,-6.65,;25.09,-5.88,;22.43,-1.25,;21.09,-2.02,;21.09,-3.56,;19.77,-1.25,;19.77,.29,;21.09,1.06,;22.51,.43,;23.53,1.58,;22.75,2.9,;21.26,2.57,;18.43,-2.02,;17.09,-1.25,;17.09,.29,;15.76,-2.02,;14.43,-1.25,;13.09,-2.02,;13.09,-3.56,;11.76,-1.25,;10.43,-2.02,;9.09,-1.25,;9.09,.29,;7.76,-2.02,;6.43,-1.25,;5.09,-2.02,;5.09,-3.56,;3.76,-1.25,;3.76,.29,;5.09,1.06,;6.44,.29,;7.76,1.06,;7.75,2.59,;6.42,3.36,;5.09,2.58,;2.42,-2.02,;1.09,-1.25,;1.09,.29,;-.24,-2.02,;-.24,-3.56,;1.09,-4.33,;1.09,-5.87,;2.42,-6.64,;2.42,-8.18,;1.09,-8.95,;3.76,-8.95,;-1.58,-1.25,;-2.91,-2.02,;-2.91,-3.56,;-4.24,-1.25,;-5.58,-2.02,;-4.24,.29,;-2.91,1.06,;-2.91,2.6,;-4.24,3.37,;-1.58,3.37,;7.76,-3.56,;9.3,-3.56,;6.22,-3.56,;7.76,-5.1,;11.76,.29,;10.43,1.06,;13.09,1.06,;37.1,-2.02,;37.1,-3.56,;38.43,-1.25,;39.77,-2.02,;41.1,-1.25,;41.1,.29,;39.79,1.05,;39.77,2.59,;41.1,3.36,;41.1,4.9,;42.44,2.6,;42.44,1.06,;39.77,-3.56,;38.43,-4.33,;41.1,-4.33,;42.67,-3.8,;43.69,-5.14,;42.74,-6.52,;41.35,-5.84,;40.12,-6.76,;38.7,-6.16,;40.3,-8.29,;39.08,-9.22,;37.66,-8.61,;36.42,-9.54,;39.26,-10.75,;40.67,-11.35,;38.03,-11.67,;38.22,-13.2,;39.63,-13.8,;39.82,-15.33,;38.58,-16.26,;41.23,-15.93,;36.98,-14.12,;35.57,-13.52,;37.17,-15.65,;35.94,-16.58,;36.12,-18.1,;37.54,-18.71,;34.89,-19.03,;34.78,-20.71,;33.17,-21.14,;32.26,-19.73,;33.42,-18.71,;33.05,-17.22,;31.55,-16.81,;34.14,-16.13,)|
Structure:
Search PDB for entries with ligand similarity: