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Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270892
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
230±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:
BDBM50270892
Synonyms:
CHEMBL503489
Type:
Small organic molecule
Emp. Form.:
C86H124N24O22S2
Mol. Mass.:
1910.182
SMILES:
CC(C)C[C@H](N(C)C(=O)CNC(=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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,wD:62.72,47.49,18.26,109.113,13.13,(34.75,-27.57,;34.75,-29.11,;36.09,-29.88,;33.42,-29.88,;33.42,-31.42,;32.08,-32.19,;32.08,-33.73,;30.75,-31.42,;30.75,-29.88,;29.42,-32.19,;28.08,-31.42,;26.75,-32.19,;26.75,-33.73,;25.41,-31.43,;25.42,-29.89,;24.08,-32.19,;22.75,-31.42,;22.75,-29.88,;21.42,-32.19,;21.42,-33.73,;22.75,-34.5,;24.07,-33.74,;25.4,-34.5,;25.41,-36.04,;24.08,-36.82,;22.75,-36.05,;20.08,-31.42,;18.74,-32.19,;18.74,-33.73,;17.42,-31.42,;17.42,-29.88,;18.74,-29.11,;20.17,-29.74,;21.18,-28.59,;20.4,-27.27,;18.91,-27.6,;16.08,-32.19,;14.74,-31.42,;14.74,-29.88,;13.42,-32.19,;12.08,-31.42,;10.74,-32.19,;10.74,-33.73,;9.41,-31.42,;8.08,-32.19,;6.74,-31.42,;6.74,-29.88,;5.41,-32.19,;4.08,-31.42,;2.74,-32.19,;2.74,-33.73,;1.41,-31.42,;1.41,-29.88,;2.74,-29.11,;4.09,-29.88,;5.41,-29.11,;5.4,-27.58,;4.07,-26.81,;2.74,-27.59,;.08,-32.19,;-1.26,-31.42,;-1.26,-29.88,;-2.59,-32.19,;-2.59,-33.73,;-1.26,-34.5,;-1.26,-36.04,;.08,-36.81,;.08,-38.35,;-1.26,-39.12,;1.41,-39.12,;-3.93,-31.42,;-5.26,-32.19,;-5.26,-33.73,;-6.59,-31.42,;-7.93,-32.19,;-6.59,-29.88,;-5.26,-29.11,;-5.26,-27.57,;-6.59,-26.8,;-3.93,-26.8,;5.41,-33.73,;6.95,-33.73,;3.87,-33.73,;5.41,-35.27,;9.41,-29.88,;8.08,-29.11,;10.74,-29.11,;34.75,-32.19,;34.75,-33.73,;36.09,-31.42,;37.42,-32.19,;38.75,-31.42,;38.75,-29.88,;37.44,-29.12,;37.42,-27.58,;38.75,-26.81,;38.75,-25.27,;40.09,-27.57,;40.09,-29.11,;37.42,-33.73,;36.09,-34.5,;38.75,-34.5,;40.32,-33.97,;41.34,-35.31,;40.39,-36.69,;39,-36.01,;37.77,-36.93,;36.35,-36.33,;37.95,-38.46,;36.73,-39.39,;35.31,-38.78,;34.08,-39.71,;36.91,-40.92,;38.32,-41.52,;35.68,-41.84,;35.87,-43.37,;37.28,-43.97,;37.47,-45.5,;36.24,-46.43,;38.89,-46.1,;34.63,-44.29,;33.22,-43.69,;34.82,-45.82,;33.59,-46.75,;33.77,-48.27,;35.19,-48.88,;32.54,-49.2,;32.43,-50.88,;30.82,-51.31,;29.91,-49.9,;31.07,-48.88,;30.7,-47.39,;29.21,-46.98,;31.79,-46.3,)|
Structure:
Search PDB for entries with ligand similarity: