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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270843
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
13000±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:
BDBM50270843
Synonyms:
CHEMBL524908
Type:
Small organic molecule
Emp. Form.:
C91H126N24O23S2
Mol. Mass.:
1988.251
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)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:79.83,57.68,49.52,90.95,35.44,8.17,4.4,96.99,111.117,121.126,136.143,wD:68.79,53.56,24.33,115.120,(36.32,-27.93,;36.32,-29.47,;37.66,-30.24,;34.99,-30.24,;34.99,-31.78,;33.66,-32.55,;32.32,-31.78,;32.32,-30.24,;30.99,-32.55,;30.99,-34.09,;32.33,-34.86,;32.32,-36.39,;33.65,-37.16,;34.99,-36.39,;36.32,-37.16,;34.98,-34.84,;33.65,-34.08,;29.65,-31.78,;28.32,-32.55,;28.32,-34.09,;26.98,-31.78,;25.65,-32.55,;24.32,-31.78,;24.32,-30.24,;22.99,-32.55,;22.99,-34.09,;24.32,-34.86,;25.64,-34.1,;26.98,-34.86,;26.98,-36.4,;25.65,-37.17,;24.32,-36.41,;21.65,-31.78,;20.32,-32.55,;20.32,-34.09,;18.99,-31.78,;18.99,-30.24,;20.32,-29.47,;21.74,-30.1,;22.75,-28.95,;21.98,-27.63,;20.48,-27.95,;17.65,-32.55,;16.31,-31.78,;16.31,-30.24,;14.99,-32.55,;13.65,-31.78,;12.31,-32.55,;12.31,-34.09,;10.99,-31.78,;9.65,-32.55,;8.31,-31.78,;8.31,-30.24,;6.98,-32.55,;5.65,-31.78,;4.31,-32.55,;4.31,-34.09,;2.98,-31.78,;2.98,-30.24,;4.31,-29.47,;5.66,-30.24,;6.98,-29.47,;6.97,-27.94,;5.64,-27.17,;4.31,-27.95,;1.65,-32.55,;.31,-31.78,;.31,-30.24,;-1.02,-32.55,;-1.02,-34.09,;.31,-34.86,;.31,-36.4,;1.65,-37.17,;1.65,-38.71,;.31,-39.48,;2.98,-39.48,;-2.35,-31.78,;-3.69,-32.55,;-3.69,-34.09,;-5.02,-31.78,;-6.36,-32.55,;-5.02,-30.24,;-3.69,-29.47,;-3.69,-27.93,;-5.02,-27.16,;-2.35,-27.16,;6.98,-34.09,;8.52,-34.09,;5.44,-34.09,;6.98,-35.63,;10.99,-30.24,;9.65,-29.47,;12.31,-29.47,;36.32,-32.55,;36.32,-34.09,;37.66,-31.78,;38.99,-32.55,;40.32,-31.78,;40.32,-30.24,;39.01,-29.48,;39,-27.94,;40.32,-27.17,;40.32,-25.63,;41.66,-27.93,;41.66,-29.46,;38.99,-34.09,;37.66,-34.86,;40.32,-34.86,;41.89,-34.33,;42.91,-35.67,;41.96,-37.04,;40.57,-36.37,;39.34,-37.29,;37.92,-36.69,;39.53,-38.82,;38.3,-39.74,;36.88,-39.14,;35.65,-40.07,;38.48,-41.27,;39.89,-41.88,;37.25,-42.2,;37.44,-43.72,;38.85,-44.33,;39.04,-45.86,;37.81,-46.79,;40.46,-46.46,;36.2,-44.65,;34.79,-44.05,;36.39,-46.18,;35.16,-47.11,;35.34,-48.63,;36.76,-49.24,;34.12,-49.56,;34.01,-51.23,;32.39,-51.67,;31.48,-50.26,;32.64,-49.23,;32.27,-47.74,;30.78,-47.34,;33.36,-46.65,)|
Structure:
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