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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270974
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
100000±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:
BDBM50270974
Synonyms:
(2S)-1-{2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic acid | CHEMBL508704
Type:
Small organic molecule
Emp. Form.:
C87H125N25O24
Mol. Mass.:
1905.0765
SMILES:
CC(C)C[C@H](NC(=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](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:4.4,83.87,27.35,54.64,117.121,76.79,41.43,wD:132.138,104.109,89.91,16.24,65.75,45.52,108.112,(31.05,-12.76,;31.05,-14.3,;32.38,-15.07,;29.72,-15.06,;29.72,-16.62,;28.5,-17.51,;27.15,-16.79,;27.15,-15.24,;25.87,-17.66,;24.65,-16.76,;23.29,-17.5,;23.29,-19.04,;22.02,-16.63,;20.79,-17.52,;19.43,-16.8,;19.43,-15.25,;18.15,-17.66,;18.15,-19.22,;19.48,-20,;20.82,-19.22,;22.16,-20,;22.16,-21.54,;20.82,-22.31,;19.48,-21.54,;16.93,-16.78,;15.57,-17.5,;15.58,-19.04,;14.3,-16.64,;14.3,-15.1,;15.63,-14.33,;17.09,-14.81,;18.01,-13.59,;17.11,-12.33,;15.65,-12.79,;12.92,-17.53,;11.56,-16.8,;11.57,-15.26,;10.28,-17.66,;9.08,-16.78,;7.72,-17.5,;7.73,-19.04,;6.45,-16.64,;5.24,-17.53,;3.94,-16.71,;3.99,-15.18,;2.58,-17.43,;2.53,-18.96,;3.81,-19.77,;3.76,-21.29,;2.42,-22,;5.04,-22.1,;1.28,-16.62,;-.08,-17.34,;-.07,-18.89,;-1.36,-16.48,;-1.36,-14.93,;-.03,-14.15,;1.31,-14.92,;2.65,-14.15,;2.65,-12.6,;1.31,-11.84,;-.03,-12.6,;-2.58,-17.36,;-3.93,-16.64,;-3.92,-15.09,;-5.21,-17.51,;-5.21,-19.06,;-3.87,-19.83,;-3.87,-21.37,;-2.55,-22.1,;-2.51,-23.64,;-1.15,-24.37,;-3.82,-24.44,;-6.44,-16.62,;-7.8,-17.34,;-7.79,-18.89,;-9.07,-16.48,;-10.29,-17.36,;-9.07,-14.93,;-7.74,-14.15,;-7.74,-12.61,;-9.07,-11.84,;-6.41,-11.84,;6.45,-15.1,;5.12,-14.33,;7.78,-14.33,;31,-17.49,;31,-19.04,;32.35,-16.76,;33.57,-17.64,;33.58,-19.19,;32.75,-20.51,;33.49,-21.86,;32.68,-23.18,;31.14,-23.13,;30.34,-24.45,;30.41,-21.78,;31.21,-20.47,;34.85,-16.78,;34.86,-15.23,;36.21,-17.5,;36.44,-19.02,;37.96,-19.29,;38.8,-17.8,;37.6,-16.82,;37.87,-15.31,;36.69,-14.33,;39.31,-14.78,;40.48,-15.77,;40.22,-17.28,;41.39,-18.25,;41.13,-19.75,;42.3,-20.72,;42.04,-22.21,;41.93,-15.24,;42.19,-13.73,;43.11,-16.22,;44.24,-15.41,;44.24,-13.97,;45.47,-13.26,;46.7,-13.97,;45.48,-11.84,;45.42,-16.2,;45.43,-17.63,;46.67,-15.53,;47.8,-16.36,;48.97,-15.55,;48.98,-14.13,;50.24,-16.22,;50.44,-17.64,;51.84,-17.89,;52.51,-16.63,;51.53,-15.6,;51.77,-14.2,;53.12,-13.71,;50.68,-13.27,)|
Structure:
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