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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270914
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:
BDBM50270914
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-(4-methylphenyl)propanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic | CHEMBL504855
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](Cc1ccc(C)cc1)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,(30.17,1.34,;30.17,-.18,;31.52,-.96,;28.84,-.96,;28.84,-2.48,;27.51,-3.25,;26.18,-2.47,;26.18,-.95,;24.85,-3.24,;23.51,-2.45,;22.19,-3.22,;22.19,-4.77,;20.85,-2.45,;19.53,-3.21,;18.19,-2.43,;18.19,-.91,;16.87,-3.19,;16.87,-4.74,;17.63,-6.06,;19.14,-6.07,;19.9,-7.38,;19.13,-8.71,;19.89,-10.05,;17.61,-8.7,;16.85,-7.38,;15.53,-2.42,;14.21,-3.18,;14.21,-4.73,;12.87,-2.4,;12.87,-.88,;14.21,-.11,;15.62,-.75,;16.65,.38,;15.89,1.72,;14.39,1.4,;11.55,-3.17,;10.21,-2.4,;10.21,-.87,;8.89,-3.15,;7.55,-2.39,;6.22,-3.16,;6.22,-4.68,;4.88,-2.38,;3.57,-3.15,;2.24,-2.37,;2.24,-.8,;.89,-3.13,;-.45,-2.36,;-1.78,-3.13,;-1.78,-4.67,;-3.11,-2.36,;-3.11,-.81,;-1.78,-.03,;-.43,-.82,;.9,-.04,;.9,1.5,;-.43,2.26,;-1.78,1.5,;-4.46,-3.13,;-5.79,-2.36,;-5.79,-.81,;-7.14,-3.13,;-7.14,-4.67,;-5.79,-5.45,;-5.79,-7.01,;-4.46,-7.79,;-4.46,-9.32,;-5.79,-10.09,;-3.11,-10.09,;-8.5,-2.36,;-9.83,-3.13,;-9.83,-4.67,;-11.17,-2.36,;-12.54,-3.13,;-11.17,-.81,;-9.83,-.03,;-9.83,1.51,;-11.17,2.27,;-8.5,2.27,;.9,-4.68,;2.44,-4.7,;-.65,-4.66,;.89,-6.21,;4.88,-.84,;3.57,-.08,;6.23,-.07,;30.17,-3.26,;30.17,-4.81,;31.5,-2.5,;32.84,-3.27,;34.16,-2.51,;34.16,-.99,;32.85,-.21,;32.85,1.32,;34.19,2.08,;34.19,3.62,;35.52,1.31,;35.51,-.22,;32.84,-4.82,;31.5,-5.6,;34.16,-5.58,;35.73,-5.04,;36.75,-6.37,;35.81,-7.75,;34.42,-7.07,;33.19,-8,;31.81,-7.33,;33.3,-9.53,;32.03,-10.4,;30.64,-9.72,;29.37,-10.58,;32.13,-11.92,;33.51,-12.6,;30.86,-12.79,;30.97,-14.31,;32.34,-14.99,;32.45,-16.52,;31.18,-17.38,;33.84,-17.19,;29.69,-15.18,;28.31,-14.5,;29.8,-16.71,;28.52,-17.57,;28.63,-19.1,;30.02,-19.77,;27.36,-19.96,;27.17,-21.63,;25.53,-21.97,;24.7,-20.52,;25.91,-19.56,;25.61,-18.05,;24.16,-17.56,;26.76,-17.04,)|
Structure:
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