Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270815
Substrate
n/a
Meas. Tech.
ChEMBL_552584 (CHEMBL956456)
IC50
2000±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:
BDBM50270815
Synonyms:
(2S)-1-{2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-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-phenylpropanamido]acetamido}acetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-carbamoylpropanamido]acetyl}pyrrolidine-2-carboxylic acid | CHEMBL506647
Type:
Small organic molecule
Emp. Form.:
C84H120N24O22S2
Mol. Mass.:
1882.129
SMILES:
CC(C)C[C@H](NC(=O)CNC(=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:88.90,103.108,128.134,71.74,27.35,49.59,4.4,41.43,113.117,82.86,wD:60.70,16.24,45.47,107.111,(34.1,-23.52,;34.1,-25.07,;35.44,-25.83,;32.77,-25.83,;32.77,-27.38,;31.43,-28.14,;30.1,-27.37,;30.1,-25.83,;28.77,-28.14,;27.44,-27.37,;26.11,-28.15,;26.11,-29.69,;24.77,-27.38,;23.44,-28.15,;22.1,-27.38,;22.1,-25.84,;20.77,-28.15,;20.77,-29.69,;22.1,-30.46,;23.43,-29.69,;24.76,-30.46,;24.77,-32,;23.44,-32.77,;22.1,-32.01,;19.44,-27.38,;18.11,-28.17,;18.11,-29.7,;16.78,-27.39,;16.78,-25.85,;18.11,-25.08,;19.52,-25.71,;20.55,-24.56,;19.77,-23.23,;18.27,-23.55,;15.43,-28.14,;14.09,-27.38,;14.09,-25.84,;12.76,-28.15,;11.43,-27.38,;10.09,-28.15,;10.09,-29.69,;8.75,-27.38,;7.42,-28.15,;6.09,-27.38,;6.09,-25.83,;4.76,-28.15,;3.43,-27.38,;2.1,-28.16,;2.1,-29.7,;.76,-27.39,;.76,-25.85,;2.1,-25.08,;3.44,-25.86,;4.77,-25.08,;4.77,-23.54,;3.42,-22.78,;2.1,-23.55,;-.58,-28.15,;-1.91,-27.39,;-1.91,-25.84,;-3.24,-28.16,;-3.24,-29.69,;-1.91,-30.47,;-1.91,-32,;-.57,-32.77,;-.56,-34.31,;-1.91,-35.08,;.76,-35.08,;-4.56,-27.37,;-5.88,-28.17,;-5.88,-29.71,;-7.21,-27.4,;-8.57,-28.15,;-7.21,-25.86,;-5.88,-25.09,;-5.88,-23.55,;-7.21,-22.78,;-4.54,-22.78,;4.76,-29.69,;6.31,-29.69,;3.22,-29.68,;4.76,-31.23,;8.75,-25.83,;7.43,-25.07,;10.09,-25.06,;34.1,-28.15,;34.1,-29.69,;35.44,-27.38,;36.76,-28.15,;38.1,-27.38,;38.1,-25.83,;36.78,-25.07,;36.77,-23.53,;38.1,-22.76,;38.1,-21.21,;39.44,-23.52,;39.45,-25.06,;36.76,-29.69,;35.44,-30.46,;38.1,-30.46,;39.67,-29.93,;40.7,-31.26,;39.75,-32.64,;38.35,-31.96,;37.12,-32.89,;35.7,-32.28,;37.3,-34.42,;36.08,-35.36,;34.66,-34.75,;33.43,-35.68,;36.26,-36.88,;37.67,-37.49,;35.02,-37.8,;35.21,-39.32,;36.63,-39.93,;36.81,-41.46,;35.58,-42.37,;38.23,-42.06,;33.98,-40.24,;32.56,-39.65,;34.16,-41.77,;32.93,-42.7,;33.12,-44.22,;34.54,-44.83,;31.89,-45.15,;31.78,-46.83,;30.16,-47.26,;29.25,-45.84,;30.42,-44.82,;30.04,-43.33,;28.55,-42.93,;31.12,-42.24,)|
Structure:
Search PDB for entries with ligand similarity: