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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270897
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:
BDBM50270897
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-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-methyl-3-sulfanylbutanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic acid | CHEMBL501541
Type:
Small organic molecule
Emp. Form.:
C84H120N24O22S2
Mol. Mass.:
1882.129
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](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:103.108,41.43,4.4,88.90,82.86,71.74,27.35,60.70,49.59,45.47,wD:128.134,113.117,107.111,16.24,(30.78,-30.7,;30.78,-32.21,;32.11,-32.99,;29.44,-32.99,;29.44,-34.51,;28.11,-35.29,;26.78,-34.52,;26.78,-33.01,;25.46,-35.28,;24.12,-34.52,;22.79,-35.29,;22.79,-36.83,;21.45,-34.51,;20.12,-35.29,;18.79,-34.51,;18.79,-32.98,;17.48,-35.27,;17.48,-36.81,;18.79,-37.57,;20.12,-36.83,;21.45,-37.6,;21.44,-39.13,;20.11,-39.89,;18.79,-39.12,;16.14,-34.5,;14.82,-35.28,;14.82,-36.83,;13.48,-34.5,;13.48,-32.98,;14.82,-32.21,;16.23,-32.85,;17.25,-31.72,;16.5,-30.39,;14.98,-30.68,;12.16,-35.29,;10.81,-34.54,;10.81,-33,;9.49,-35.29,;8.17,-34.51,;6.83,-35.27,;6.83,-36.79,;5.49,-34.49,;4.16,-35.27,;2.81,-34.53,;2.81,-32.99,;1.47,-35.3,;.14,-34.52,;-1.19,-35.29,;-1.19,-36.84,;-2.53,-34.52,;-2.53,-32.98,;-1.19,-32.21,;.15,-32.98,;1.48,-32.21,;1.48,-30.66,;.15,-29.9,;-1.2,-30.66,;-3.87,-35.28,;-5.21,-34.53,;-5.21,-32.99,;-6.55,-35.3,;-6.55,-36.85,;-5.21,-37.62,;-5.21,-39.17,;-3.87,-39.93,;-3.89,-41.47,;-5.19,-42.25,;-2.52,-42.23,;-7.88,-34.52,;-9.21,-35.29,;-9.21,-36.85,;-10.55,-34.52,;-11.88,-35.28,;-10.55,-32.98,;-9.21,-32.21,;-9.21,-30.66,;-10.54,-29.88,;-7.89,-29.89,;1.48,-36.84,;3.02,-36.85,;-.06,-36.84,;1.46,-38.37,;5.49,-32.95,;4.19,-32.19,;6.87,-32.17,;30.78,-35.28,;30.78,-36.83,;32.12,-34.53,;33.47,-35.27,;34.78,-34.51,;34.78,-33,;33.47,-32.22,;33.47,-30.68,;34.81,-29.94,;34.81,-28.42,;36.13,-30.71,;36.12,-32.23,;33.47,-36.83,;32.12,-37.61,;34.78,-37.59,;36.35,-37.04,;37.37,-38.38,;36.43,-39.76,;35.03,-39.08,;33.8,-40,;32.44,-39.33,;33.96,-41.53,;35.32,-42.26,;36.62,-41.43,;37.96,-42.18,;35.36,-43.79,;34.07,-44.59,;36.7,-44.56,;36.79,-46.1,;35.51,-46.9,;35.56,-48.45,;36.91,-49.19,;34.27,-49.25,;38.16,-46.83,;39.46,-46.02,;38.21,-48.36,;39.56,-49.11,;39.61,-50.62,;38.33,-51.43,;40.97,-51.35,;41.34,-52.96,;43,-53.12,;43.66,-51.6,;42.36,-50.79,;42.5,-49.27,;43.85,-48.55,;41.21,-48.45,)|
Structure:
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