Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270888
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
720±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:
BDBM50270888
Synonyms:
CHEMBL525201
Type:
Small organic molecule
Emp. Form.:
C94H130N24O22S2
Mol. Mass.:
2012.316
SMILES:
CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)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:81.86,59.71,51.55,92.98,37.47,4.4,98.102,113.120,123.129,138.146,wD:70.82,55.59,26.36,8.7,117.123,15.24,(37.84,-34.07,;36.33,-34.35,;35.81,-35.8,;35.33,-33.18,;33.82,-33.46,;32.82,-32.28,;33.34,-30.83,;34.85,-30.55,;32.33,-29.65,;33.47,-28.63,;32.85,-27.23,;31.33,-27.39,;31.01,-28.89,;29.67,-29.66,;29.67,-31.2,;28.34,-28.89,;28.34,-27.35,;29.68,-26.59,;31,-27.37,;32.34,-26.6,;32.34,-25.06,;31,-24.29,;29.67,-25.06,;27,-29.65,;25.67,-28.89,;25.67,-27.35,;24.34,-29.66,;24.34,-31.2,;25.67,-31.97,;26.99,-31.2,;28.33,-31.97,;28.33,-33.5,;27.01,-34.28,;25.67,-33.52,;23.01,-28.89,;21.67,-29.66,;21.67,-31.2,;20.34,-28.89,;20.34,-27.35,;21.67,-26.58,;23.09,-27.21,;24.11,-26.06,;23.33,-24.73,;21.83,-25.06,;19,-29.66,;17.67,-28.89,;17.67,-27.35,;16.34,-29.66,;15,-28.89,;13.67,-29.66,;13.67,-31.2,;12.34,-28.89,;11,-29.66,;9.67,-28.89,;9.67,-27.35,;8.34,-29.66,;7,-28.89,;5.66,-29.66,;5.66,-31.2,;4.34,-28.89,;4.34,-27.35,;5.66,-26.58,;7.01,-27.35,;8.33,-26.58,;8.33,-25.04,;7,-24.28,;5.66,-25.06,;3,-29.66,;1.66,-28.89,;1.66,-27.35,;.34,-29.66,;.34,-31.2,;1.66,-31.97,;1.66,-33.51,;3,-34.28,;3,-35.82,;1.66,-36.59,;4.34,-36.59,;-1,-28.89,;-2.34,-29.66,;-2.34,-31.2,;-3.67,-28.89,;-5,-29.66,;-3.67,-27.35,;-2.34,-26.58,;-2.34,-25.04,;-3.67,-24.27,;-1,-24.27,;8.34,-31.2,;9.88,-31.2,;6.8,-31.2,;8.34,-32.74,;12.34,-27.35,;11,-26.58,;13.67,-26.58,;33.3,-34.9,;31.78,-35.18,;34.29,-36.08,;33.78,-37.53,;34.77,-38.7,;36.29,-38.42,;36.81,-36.99,;38.31,-36.71,;39.31,-37.87,;40.83,-37.6,;38.8,-39.32,;37.29,-39.6,;32.26,-37.81,;31.26,-36.63,;31.74,-39.25,;32.55,-40.7,;31.42,-41.95,;29.89,-41.26,;30.31,-39.77,;29.18,-38.72,;29.51,-37.22,;27.71,-39.18,;26.58,-38.14,;26.92,-36.64,;25.78,-35.59,;25.1,-38.59,;24.77,-40.09,;23.97,-37.55,;22.51,-38.01,;22.17,-39.51,;20.7,-39.97,;19.56,-38.92,;20.36,-41.47,;21.37,-36.96,;21.71,-35.46,;19.9,-37.42,;18.77,-36.38,;17.3,-36.83,;16.96,-38.33,;16.17,-35.79,;14.5,-35.98,;13.79,-34.48,;15.01,-33.33,;16.23,-34.29,;17.62,-33.65,;17.75,-32.11,;18.89,-34.52,)|
Structure:
Search PDB for entries with ligand similarity: