Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270886
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
450±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:
BDBM50270886
Synonyms:
CHEMBL525018
Type:
Small organic molecule
Emp. Form.:
C86H124N24O22S2
Mol. Mass.:
1910.182
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,8.8,wD:62.72,47.49,18.26,109.113,13.13,(35.68,-24.03,;35.68,-25.57,;37.02,-26.34,;34.35,-26.34,;34.35,-27.88,;33.02,-28.65,;31.68,-27.88,;31.68,-26.34,;30.35,-28.65,;30.35,-30.19,;29.02,-27.88,;27.68,-28.65,;27.68,-30.19,;26.35,-27.88,;26.35,-26.34,;25.01,-28.64,;23.68,-27.88,;23.68,-26.34,;22.35,-28.65,;22.35,-30.19,;23.68,-30.96,;25,-30.19,;26.34,-30.96,;26.34,-32.49,;25.02,-33.27,;23.68,-32.5,;21.01,-27.88,;19.68,-28.65,;19.68,-30.19,;18.35,-27.88,;18.35,-26.34,;19.68,-25.57,;21.1,-26.19,;22.12,-25.05,;21.34,-23.72,;19.84,-24.05,;17.01,-28.65,;15.68,-27.88,;15.68,-26.34,;14.35,-28.65,;13.01,-27.88,;11.68,-28.65,;11.68,-30.19,;10.35,-27.88,;9.01,-28.65,;7.67,-27.88,;7.67,-26.34,;6.35,-28.65,;5.01,-27.88,;3.67,-28.65,;3.67,-30.19,;2.35,-27.88,;2.35,-26.34,;3.67,-25.57,;5.02,-26.34,;6.34,-25.57,;6.34,-24.03,;5.01,-23.27,;3.67,-24.05,;1.01,-28.65,;-.33,-27.88,;-.33,-26.34,;-1.66,-28.65,;-1.66,-30.19,;-.33,-30.96,;-.33,-32.5,;1.01,-33.27,;1.01,-34.81,;-.33,-35.58,;2.35,-35.58,;-2.99,-27.88,;-4.33,-28.65,;-4.33,-30.19,;-5.66,-27.88,;-6.99,-28.65,;-5.66,-26.34,;-4.33,-25.57,;-4.33,-24.03,;-5.66,-23.26,;-2.99,-23.26,;6.35,-30.19,;7.89,-30.19,;4.81,-30.19,;6.35,-31.73,;10.35,-26.34,;9.01,-25.57,;11.68,-25.57,;35.68,-28.65,;35.68,-30.19,;37.02,-27.88,;38.35,-28.65,;39.68,-27.88,;39.68,-26.34,;38.37,-25.57,;38.36,-24.04,;39.68,-23.26,;39.68,-21.72,;41.02,-24.03,;41.02,-25.56,;38.35,-30.19,;37.02,-30.96,;39.68,-30.96,;41.25,-30.43,;42.28,-31.76,;41.33,-33.14,;39.93,-32.46,;38.7,-33.39,;37.28,-32.78,;38.89,-34.91,;37.66,-35.84,;36.24,-35.24,;35.01,-36.16,;37.84,-37.37,;39.26,-37.97,;36.61,-38.3,;36.8,-39.82,;38.22,-40.42,;38.4,-41.95,;37.17,-42.88,;39.82,-42.56,;35.57,-40.75,;34.15,-40.14,;35.75,-42.28,;34.53,-43.2,;34.71,-44.73,;36.12,-45.33,;33.48,-45.66,;33.37,-47.33,;31.75,-47.76,;30.85,-46.35,;32.01,-45.33,;31.63,-43.84,;30.14,-43.44,;32.72,-42.75,)|
Structure:
Search PDB for entries with ligand similarity: