Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270887
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
430±n/a nM
Comments
extracted
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:
BDBM50270887
Synonyms:
CHEMBL505622
Type:
Small organic molecule
Emp. Form.:
C88H126N24O22S2
Mol. Mass.:
1936.22
SMILES:
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=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:75.79,53.64,45.48,86.91,31.40,4.4,92.95,107.113,117.122,132.139,wD:64.75,49.52,20.29,8.7,111.116,15.16,(38.82,-6.29,;37.31,-6.57,;36.79,-8.02,;36.31,-5.4,;34.8,-5.68,;33.8,-4.5,;34.32,-3.05,;35.83,-2.77,;33.31,-1.87,;34.45,-.85,;33.83,.55,;32.31,.39,;31.99,-1.11,;30.65,-1.88,;30.65,-3.42,;29.32,-1.11,;29.32,.43,;27.98,-1.87,;26.65,-1.11,;26.65,.43,;25.32,-1.88,;25.32,-3.42,;26.65,-4.19,;27.97,-3.42,;29.31,-4.19,;29.31,-5.72,;27.99,-6.5,;26.65,-5.73,;23.99,-1.11,;22.65,-1.88,;22.65,-3.42,;21.32,-1.11,;21.32,.43,;22.65,1.2,;24.07,.58,;25.09,1.72,;24.31,3.05,;22.81,2.72,;19.98,-1.88,;18.65,-1.11,;18.65,.43,;17.32,-1.88,;15.98,-1.11,;14.65,-1.88,;14.65,-3.42,;13.32,-1.11,;11.98,-1.88,;10.65,-1.11,;10.65,.43,;9.32,-1.88,;7.98,-1.11,;6.64,-1.88,;6.64,-3.42,;5.32,-1.11,;5.32,.43,;6.64,1.2,;7.99,.43,;9.31,1.2,;9.31,2.74,;7.98,3.5,;6.64,2.73,;3.98,-1.88,;2.64,-1.11,;2.64,.43,;1.32,-1.88,;1.32,-3.42,;2.64,-4.19,;2.64,-5.73,;3.98,-6.5,;3.98,-8.04,;2.64,-8.81,;5.32,-8.81,;-.02,-1.11,;-1.36,-1.88,;-1.36,-3.42,;-2.69,-1.11,;-4.02,-1.88,;-2.69,.43,;-1.36,1.2,;-1.36,2.74,;-2.69,3.51,;-.02,3.51,;9.32,-3.42,;10.86,-3.42,;7.78,-3.42,;9.32,-4.96,;13.32,.43,;11.98,1.2,;14.65,1.2,;34.28,-7.12,;32.76,-7.4,;35.27,-8.3,;34.76,-9.75,;35.75,-10.92,;37.27,-10.64,;37.79,-9.21,;39.29,-8.93,;40.29,-10.09,;41.81,-9.81,;39.78,-11.54,;38.27,-11.82,;33.24,-10.03,;32.24,-8.85,;32.72,-11.47,;33.53,-12.92,;32.4,-14.17,;30.87,-13.48,;31.29,-11.99,;30.16,-10.94,;30.49,-9.44,;28.69,-11.4,;27.56,-10.36,;27.9,-8.86,;26.76,-7.81,;26.08,-10.81,;25.75,-12.31,;24.95,-9.77,;23.49,-10.23,;23.15,-11.73,;21.68,-12.19,;20.54,-11.14,;21.34,-13.69,;22.35,-9.18,;22.69,-7.68,;20.88,-9.64,;19.75,-8.6,;18.28,-9.05,;17.94,-10.55,;17.15,-8.01,;15.48,-8.2,;14.77,-6.69,;15.99,-5.55,;17.21,-6.5,;18.6,-5.87,;18.73,-4.33,;19.87,-6.74,)|
Structure:
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