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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270896
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
1700±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:
BDBM50270896
Synonyms:
CHEMBL525636
Type:
Small organic molecule
Emp. Form.:
C86H124N24O22S2
Mol. Mass.:
1910.182
SMILES:
CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@@H](C)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:73.76,51.61,43.45,84.88,29.37,90.92,105.110,115.119,130.136,4.4,wD:62.72,47.49,18.26,109.113,13.13,(35.06,-25.73,;35.05,-27.27,;36.38,-28.04,;33.72,-28.03,;33.71,-29.57,;32.38,-30.33,;31.04,-29.56,;31.04,-28.02,;29.71,-30.33,;28.38,-29.56,;28.38,-28.02,;27.04,-30.33,;27.04,-31.87,;25.71,-29.57,;25.71,-28.03,;24.38,-30.33,;23.04,-29.56,;23.04,-28.02,;21.71,-30.33,;21.71,-31.87,;23.04,-32.64,;24.36,-31.88,;25.7,-32.64,;25.7,-34.18,;24.38,-34.96,;23.04,-34.19,;20.38,-29.56,;19.04,-30.33,;19.04,-31.87,;17.71,-29.56,;17.71,-28.02,;19.04,-27.25,;20.46,-27.88,;21.48,-26.73,;20.7,-25.41,;19.2,-25.74,;16.38,-30.33,;15.04,-29.56,;15.04,-28.02,;13.71,-30.33,;12.37,-29.56,;11.04,-30.33,;11.04,-31.87,;9.71,-29.56,;8.37,-30.33,;7.04,-29.56,;7.04,-28.02,;5.71,-30.33,;4.37,-29.56,;3.04,-30.33,;3.04,-31.87,;1.71,-29.56,;1.71,-28.02,;3.04,-27.25,;4.38,-28.02,;5.7,-27.25,;5.7,-25.72,;4.37,-24.96,;3.04,-25.73,;.37,-30.33,;-.97,-29.56,;-.97,-28.02,;-2.29,-30.33,;-2.29,-31.87,;-.97,-32.64,;-.97,-34.18,;.37,-34.95,;.37,-36.49,;-.97,-37.26,;1.71,-37.26,;-3.63,-29.56,;-4.97,-30.33,;-4.97,-31.87,;-6.29,-29.56,;-7.63,-30.33,;-6.29,-28.02,;-4.97,-27.25,;-4.97,-25.71,;-6.29,-24.94,;-3.63,-24.94,;5.71,-31.87,;7.25,-31.87,;4.17,-31.87,;5.71,-33.41,;9.71,-28.02,;8.37,-27.25,;11.04,-27.25,;35.04,-30.33,;35.04,-31.87,;36.38,-29.56,;37.72,-30.33,;39.05,-29.56,;39.05,-28.02,;37.73,-27.26,;37.72,-25.73,;39.05,-24.95,;39.05,-23.41,;40.38,-25.71,;40.39,-27.25,;37.72,-31.87,;36.38,-32.64,;39.05,-32.64,;40.61,-32.11,;41.64,-33.45,;40.69,-34.83,;39.3,-34.15,;38.06,-35.08,;36.65,-34.47,;38.25,-36.6,;37.02,-37.53,;35.61,-36.92,;34.37,-37.85,;37.2,-39.06,;38.62,-39.66,;35.97,-39.98,;36.16,-41.51,;37.58,-42.11,;37.77,-43.64,;36.53,-44.57,;39.18,-44.25,;34.93,-42.43,;33.51,-41.83,;35.12,-43.97,;33.89,-44.89,;34.07,-46.42,;35.48,-47.02,;32.84,-47.34,;32.73,-49.02,;31.12,-49.45,;30.21,-48.04,;31.37,-47.02,;30.99,-45.53,;29.5,-45.12,;32.08,-44.44,)|
Structure:
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