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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270838
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
1400±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:
BDBM50270838
Synonyms:
CHEMBL508564
Type:
Small organic molecule
Emp. Form.:
C87H124N24O22S2
Mol. Mass.:
1922.193
SMILES:
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=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:74.78,52.63,44.47,85.90,30.39,4.4,91.94,106.112,116.121,131.138,wD:63.74,48.51,19.28,8.7,110.115,(33.24,1.45,;32.47,.11,;33.25,-1.22,;30.94,.1,;30.18,-1.24,;28.63,-1.24,;27.85,.09,;28.62,1.43,;26.32,.08,;25.28,1.22,;23.87,.59,;24.05,-.95,;25.56,-1.26,;26.33,-2.59,;27.87,-2.58,;25.57,-3.93,;24.24,-4.7,;22.9,-3.93,;22.9,-2.39,;21.57,-4.7,;21.57,-6.24,;22.9,-7.01,;24.22,-6.24,;25.56,-7.01,;25.56,-8.54,;24.24,-9.32,;22.9,-8.56,;20.24,-3.93,;18.9,-4.7,;18.9,-6.24,;17.57,-3.93,;17.57,-2.39,;18.9,-1.62,;20.32,-2.25,;21.34,-1.1,;20.56,.23,;19.06,-.1,;16.24,-4.7,;14.9,-3.93,;14.9,-2.39,;13.57,-4.7,;12.23,-3.93,;10.9,-4.7,;10.9,-6.24,;9.57,-3.93,;8.23,-4.7,;6.9,-3.93,;6.9,-2.39,;5.57,-4.7,;4.23,-3.93,;2.9,-4.7,;2.9,-6.24,;1.57,-3.93,;1.57,-2.39,;2.9,-1.62,;4.24,-2.39,;5.56,-1.62,;5.56,-.09,;4.23,.68,;2.9,-.1,;.23,-4.7,;-1.11,-3.93,;-1.11,-2.39,;-2.43,-4.7,;-2.43,-6.24,;-1.11,-7.01,;-1.11,-8.55,;.23,-9.32,;.23,-10.86,;-1.11,-11.63,;1.57,-11.63,;-3.77,-3.93,;-5.11,-4.7,;-5.11,-6.24,;-6.43,-3.93,;-7.77,-4.7,;-6.43,-2.39,;-5.11,-1.62,;-5.11,-.08,;-6.43,.69,;-3.77,.69,;5.57,-6.24,;7.11,-6.24,;4.03,-6.24,;5.57,-7.78,;9.57,-2.39,;8.23,-1.62,;10.9,-1.62,;30.95,-2.56,;30.18,-3.9,;32.49,-2.56,;33.27,-3.89,;34.8,-3.88,;35.56,-2.54,;34.8,-1.23,;35.55,.11,;37.09,.13,;37.85,1.46,;37.86,-1.2,;37.11,-2.54,;32.51,-5.23,;30.96,-5.23,;33.28,-6.55,;34.9,-6.87,;35.13,-8.54,;33.62,-9.26,;32.75,-7.98,;31.2,-7.99,;30.43,-6.65,;30.44,-9.32,;28.9,-9.32,;28.13,-7.99,;28.9,-6.66,;28.13,-10.66,;28.9,-11.99,;26.59,-10.66,;25.83,-11.99,;26.6,-13.33,;25.83,-14.66,;24.29,-14.66,;26.6,-16,;24.28,-12,;23.51,-10.66,;23.52,-13.33,;21.98,-13.34,;21.21,-14.67,;21.98,-16,;19.67,-14.67,;18.58,-15.95,;17.03,-15.32,;17.15,-13.65,;18.69,-13.53,;19.28,-12.11,;18.33,-10.9,;20.81,-11.89,)|
Structure:
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