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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270884
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
2000±n/a nM
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:
BDBM50270884
Synonyms:
CHEMBL506263
Type:
Small organic molecule
Emp. Form.:
C85H122N24O22S2
Mol. Mass.:
1896.156
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)CNC(=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:72.75,50.60,42.44,83.87,28.36,4.4,89.91,104.109,114.118,129.135,8.8,wD:61.71,46.48,17.25,108.112,(36.55,-26.48,;36.55,-28.02,;37.88,-28.79,;35.22,-28.79,;35.22,-30.33,;33.88,-31.1,;32.54,-30.33,;32.54,-28.79,;31.22,-31.1,;31.22,-32.64,;29.88,-30.33,;28.54,-31.1,;28.54,-32.64,;27.21,-30.33,;25.88,-31.09,;24.54,-30.33,;24.54,-28.79,;23.21,-31.1,;23.21,-32.64,;24.54,-33.41,;25.86,-32.64,;27.2,-33.41,;27.2,-34.94,;25.88,-35.72,;24.54,-34.95,;21.88,-30.33,;20.54,-31.1,;20.54,-32.64,;19.21,-30.33,;19.21,-28.79,;20.54,-28.02,;21.96,-28.64,;22.98,-27.5,;22.2,-26.17,;20.7,-26.5,;17.88,-31.1,;16.54,-30.33,;16.54,-28.79,;15.21,-31.1,;13.88,-30.33,;12.54,-31.1,;12.54,-32.64,;11.21,-30.33,;9.87,-31.1,;8.54,-30.33,;8.54,-28.79,;7.21,-31.1,;5.87,-30.33,;4.54,-31.1,;4.54,-32.64,;3.21,-30.33,;3.21,-28.79,;4.54,-28.02,;5.89,-28.79,;7.2,-28.02,;7.2,-26.48,;5.87,-25.72,;4.54,-26.5,;1.87,-31.1,;.54,-30.33,;.54,-28.79,;-.79,-31.1,;-.79,-32.64,;.54,-33.41,;.54,-34.95,;1.87,-35.72,;1.87,-37.26,;.54,-38.03,;3.21,-38.03,;-2.13,-30.33,;-3.47,-31.1,;-3.47,-32.64,;-4.79,-30.33,;-6.13,-31.1,;-4.79,-28.79,;-3.47,-28.02,;-3.47,-26.48,;-4.79,-25.71,;-2.13,-25.71,;7.21,-32.64,;8.75,-32.64,;5.67,-32.64,;7.21,-34.18,;11.21,-28.79,;9.87,-28.02,;12.54,-28.02,;36.55,-31.1,;36.55,-32.64,;37.88,-30.33,;39.22,-31.1,;40.55,-30.33,;40.55,-28.79,;39.23,-28.02,;39.22,-26.49,;40.55,-25.71,;40.55,-24.17,;41.88,-26.48,;41.89,-28.01,;39.22,-32.64,;37.88,-33.41,;40.55,-33.41,;42.11,-32.88,;43.14,-34.21,;42.19,-35.59,;40.8,-34.91,;39.56,-35.84,;38.15,-35.23,;39.75,-37.36,;38.52,-38.29,;37.11,-37.69,;35.87,-38.61,;38.7,-39.82,;40.12,-40.42,;37.48,-40.75,;37.66,-42.27,;39.08,-42.87,;39.27,-44.4,;38.03,-45.33,;40.68,-45.01,;36.43,-43.2,;35.01,-42.59,;36.62,-44.73,;35.39,-45.65,;35.57,-47.18,;36.98,-47.78,;34.34,-48.11,;34.23,-49.78,;32.62,-50.21,;31.71,-48.8,;32.87,-47.78,;32.49,-46.29,;31,-45.89,;33.58,-45.2,)|
Structure:
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