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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270841
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
18000±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:
BDBM50270841
Synonyms:
CHEMBL454229
Type:
Small organic molecule
Emp. Form.:
C88H128N24O22S2
Mol. Mass.:
1938.236
SMILES:
CC[C@H](C)[C@@H](NC(=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](CC(C)C)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:67.70,45.55,37.39,78.82,23.31,4.4,84.86,92.94,107.112,117.121,132.138,2.2,wD:56.66,41.43,12.20,111.115,(30,-36.4,;30,-34.86,;31.33,-34.08,;32.67,-34.85,;31.33,-32.54,;30,-31.77,;28.66,-32.54,;28.66,-34.08,;27.32,-31.77,;26,-32.54,;24.66,-31.77,;24.66,-30.23,;23.33,-32.54,;23.33,-34.08,;24.66,-34.85,;25.98,-34.09,;27.32,-34.85,;27.32,-36.39,;26,-37.17,;24.66,-36.4,;21.99,-31.77,;20.66,-32.54,;20.66,-34.08,;19.33,-31.77,;19.33,-30.23,;20.66,-29.46,;22.08,-30.09,;23.1,-28.94,;22.32,-27.62,;20.82,-27.95,;17.99,-32.54,;16.66,-31.77,;16.66,-30.23,;15.33,-32.54,;13.99,-31.77,;12.66,-32.54,;12.66,-34.08,;11.33,-31.77,;9.99,-32.54,;8.65,-31.77,;8.65,-30.23,;7.33,-32.54,;5.99,-31.77,;4.65,-32.54,;4.65,-34.08,;3.33,-31.77,;3.33,-30.23,;4.65,-29.46,;6,-30.23,;7.32,-29.46,;7.32,-27.93,;5.99,-27.16,;4.65,-27.94,;1.99,-32.54,;.65,-31.77,;.65,-30.23,;-.68,-32.54,;-.68,-34.08,;.65,-34.85,;.65,-36.39,;1.99,-37.16,;1.99,-38.7,;.65,-39.47,;3.33,-39.47,;-2.01,-31.77,;-3.35,-32.54,;-3.35,-34.08,;-4.68,-31.77,;-6.01,-32.54,;-4.68,-30.23,;-3.35,-29.46,;-3.35,-27.92,;-4.68,-27.15,;-2.01,-27.15,;7.33,-34.08,;8.87,-34.08,;5.79,-34.08,;7.33,-35.62,;11.33,-30.23,;9.99,-29.46,;12.66,-29.46,;32.66,-31.77,;32.66,-30.23,;34,-32.54,;35.33,-31.77,;35.33,-30.23,;36.66,-29.46,;36.66,-27.92,;38,-30.23,;36.66,-32.54,;36.66,-34.08,;38,-31.77,;39.33,-32.54,;40.66,-31.77,;40.66,-30.23,;39.35,-29.47,;39.34,-27.93,;40.66,-27.16,;40.66,-25.62,;42,-27.92,;42,-29.46,;39.33,-34.08,;38,-34.85,;40.66,-34.85,;42.23,-34.32,;43.26,-35.66,;42.31,-37.04,;40.91,-36.36,;39.68,-37.28,;38.26,-36.68,;39.87,-38.81,;38.64,-39.74,;37.22,-39.13,;35.99,-40.06,;38.82,-41.27,;40.24,-41.87,;37.59,-42.19,;37.78,-43.72,;39.2,-44.32,;39.38,-45.85,;38.15,-46.78,;40.8,-46.45,;36.55,-44.64,;35.13,-44.04,;36.73,-46.17,;35.51,-47.1,;35.69,-48.62,;37.1,-49.23,;34.46,-49.55,;34.35,-51.23,;32.73,-51.66,;31.83,-50.25,;32.99,-49.23,;32.61,-47.74,;31.12,-47.33,;33.7,-46.65,)|
Structure:
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