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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270912
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
1000±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:
BDBM50270912
Synonyms:
(2S)-1-{2-[(2S)-2-[(2S)-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]-3-methyl-3-sulfanylbutanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-(2-methylphenyl)propanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic | CHEMBL509409
Type:
Small organic molecule
Emp. Form.:
C85H122N24O22S2
Mol. Mass.:
1896.156
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1C)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:50.60,46.48,42.44,83.87,28.36,4.4,89.91,104.109,108.112,114.118,129.135,72.75,wD:61.71,16.25,(35.58,-.23,;35.58,-1.75,;36.93,-2.53,;34.25,-2.53,;34.25,-4.05,;32.92,-4.82,;31.59,-4.04,;31.59,-2.52,;30.26,-4.8,;28.92,-4.02,;27.6,-4.79,;27.6,-6.34,;26.26,-4.02,;24.94,-4.78,;23.6,-3.99,;23.6,-2.47,;22.28,-4.76,;22.28,-6.31,;23.03,-7.63,;24.55,-7.64,;25.3,-8.95,;24.53,-10.28,;23.02,-10.26,;22.26,-8.94,;20.72,-8.94,;20.94,-3.99,;19.62,-4.75,;19.62,-6.29,;18.28,-3.97,;18.28,-2.45,;19.62,-1.67,;21.02,-2.31,;22.06,-1.19,;21.3,.15,;19.79,-.16,;16.96,-4.74,;15.62,-3.96,;15.62,-2.43,;14.29,-4.72,;12.96,-3.95,;11.63,-4.73,;11.63,-6.25,;10.29,-3.95,;8.98,-4.72,;7.64,-3.94,;7.65,-2.37,;6.3,-4.7,;4.96,-3.92,;3.62,-4.7,;3.62,-6.24,;2.29,-3.92,;2.29,-2.38,;3.62,-1.6,;4.98,-2.38,;6.31,-1.61,;6.31,-.07,;4.98,.7,;3.63,-.07,;.94,-4.7,;-.39,-3.92,;-.39,-2.38,;-1.74,-4.7,;-1.74,-6.24,;-.39,-7.01,;-.39,-8.58,;.94,-9.35,;.94,-10.89,;-.39,-11.66,;2.29,-11.66,;-3.09,-3.92,;-4.42,-4.7,;-4.42,-6.24,;-5.77,-3.92,;-7.12,-4.7,;-5.77,-2.38,;-4.42,-1.6,;-4.42,-.06,;-5.77,.71,;-3.09,.71,;6.31,-6.25,;7.84,-6.27,;4.76,-6.23,;6.3,-7.78,;10.29,-2.4,;8.97,-1.64,;11.64,-1.63,;35.58,-4.82,;35.58,-6.38,;36.91,-4.06,;38.25,-4.84,;39.57,-4.08,;39.57,-2.56,;38.26,-1.78,;38.26,-.25,;39.6,.51,;39.6,2.05,;40.93,-.26,;40.91,-1.79,;38.25,-6.39,;36.91,-7.17,;39.57,-7.15,;41.14,-6.61,;42.16,-7.94,;41.22,-9.32,;39.83,-8.64,;38.6,-9.57,;37.22,-8.89,;38.71,-11.1,;37.44,-11.97,;36.05,-11.28,;34.78,-12.15,;37.54,-13.49,;38.92,-14.17,;36.26,-14.36,;36.37,-15.88,;37.75,-16.56,;37.86,-18.09,;36.59,-18.95,;39.25,-18.76,;35.1,-16.75,;33.72,-16.07,;35.21,-18.28,;33.93,-19.14,;34.04,-20.67,;35.42,-21.34,;32.77,-21.53,;32.58,-23.2,;30.94,-23.54,;30.11,-22.09,;31.32,-21.13,;31.02,-19.62,;29.56,-19.13,;32.17,-18.61,)|
Structure:
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