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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270828
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
1600±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:
BDBM50270828
Synonyms:
CHEMBL525614
Type:
Small organic molecule
Emp. Form.:
C85H122N24O22S2
Mol. Mass.:
1896.156
SMILES:
CC(C)C[C@H](N(C)C(=O)CNC(=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:89.91,104.109,129.135,72.75,28.36,50.60,4.4,42.44,114.118,83.87,wD:61.71,17.25,46.48,108.112,(34.37,-30.34,;34.37,-31.88,;35.7,-32.64,;33.04,-32.64,;33.04,-34.19,;31.7,-34.95,;31.71,-36.49,;30.37,-34.18,;30.37,-32.64,;29.04,-34.96,;27.71,-34.19,;26.38,-34.97,;26.38,-36.5,;25.04,-34.19,;23.71,-34.96,;22.37,-34.19,;22.37,-32.65,;21.04,-34.97,;21.04,-36.5,;22.37,-37.28,;23.7,-36.51,;25.03,-37.28,;25.04,-38.81,;23.71,-39.59,;22.37,-38.83,;19.71,-34.2,;18.38,-34.98,;18.38,-36.51,;17.05,-34.21,;17.05,-32.66,;18.38,-31.9,;19.79,-32.52,;20.82,-31.37,;20.04,-30.04,;18.53,-30.37,;15.7,-34.96,;14.36,-34.19,;14.36,-32.65,;13.03,-34.97,;11.69,-34.19,;10.36,-34.96,;10.36,-36.5,;9.02,-34.19,;7.69,-34.96,;6.36,-34.19,;6.36,-32.65,;5.03,-34.96,;3.69,-34.19,;2.37,-34.98,;2.37,-36.51,;1.03,-34.2,;1.03,-32.66,;2.37,-31.89,;3.71,-32.67,;5.04,-31.89,;5.03,-30.35,;3.69,-29.59,;2.37,-30.36,;-.31,-34.97,;-1.64,-34.2,;-1.64,-32.65,;-2.97,-34.97,;-2.97,-36.51,;-1.64,-37.28,;-1.64,-38.82,;-.31,-39.58,;-.3,-41.12,;-1.64,-41.89,;1.03,-41.89,;-4.3,-34.19,;-5.61,-34.99,;-5.61,-36.52,;-6.94,-34.21,;-8.3,-34.96,;-6.94,-32.67,;-5.61,-31.91,;-5.61,-30.36,;-6.94,-29.59,;-4.27,-29.6,;5.03,-36.5,;6.57,-36.51,;3.48,-36.49,;5.03,-38.04,;9.02,-32.65,;7.69,-31.88,;10.36,-31.88,;34.37,-34.96,;34.37,-36.5,;35.7,-34.19,;37.03,-34.96,;38.37,-34.19,;38.37,-32.64,;37.04,-31.88,;37.04,-30.35,;38.37,-29.57,;38.37,-28.02,;39.7,-30.33,;39.72,-31.87,;37.03,-36.5,;35.7,-37.27,;38.37,-37.27,;39.94,-36.74,;40.97,-38.07,;40.02,-39.46,;38.61,-38.77,;37.39,-39.7,;35.97,-39.1,;37.37,-41.24,;36.03,-42.01,;34.71,-41.23,;33.36,-41.99,;36.01,-43.55,;37.34,-44.33,;34.67,-44.29,;34.66,-45.83,;35.98,-46.62,;35.97,-48.15,;34.63,-48.9,;37.3,-48.94,;33.32,-46.59,;31.99,-45.81,;33.3,-48.13,;31.96,-48.88,;31.95,-50.42,;33.28,-51.2,;30.61,-51.18,;30.28,-52.83,;28.62,-53.05,;27.91,-51.52,;29.19,-50.66,;29.01,-49.14,;27.58,-48.55,;30.22,-48.2,)|
Structure:
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