Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270787
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
9400±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:
BDBM50270787
Synonyms:
CHEMBL509774 | NSFCRGRPGHFGGCYLF
Type:
Small organic molecule
Emp. Form.:
C86H118N26O21S2
Mol. Mass.:
1916.149
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:46.48,29.38,55.57,102.106,8.17,124.129,wD:40.44,25.26,70.72,84.86,92.95,20.20,4.4,(-5.59,1.86,;-5.6,.32,;-6.91,-.47,;-4.26,-.45,;-4.26,-1.99,;-2.91,-2.76,;-1.59,-1.97,;-1.59,-.43,;-.25,-2.73,;-.24,-4.27,;-1.57,-5.05,;-2.9,-4.28,;-4.23,-5.06,;-4.22,-6.6,;-5.53,-7.38,;-2.88,-7.36,;-1.57,-6.59,;1.07,-1.94,;2.41,-2.71,;2.42,-4.25,;3.73,-1.94,;3.73,-.39,;2.4,.36,;31.23,-15.16,;30.13,-16.23,;28.65,-15.82,;27.56,-16.9,;27.97,-18.39,;29.45,-18.8,;27,-19.53,;25.39,-19.06,;24.99,-17.58,;26.08,-16.49,;25.7,-14.99,;24.2,-14.59,;23.11,-15.67,;23.5,-17.16,;27.4,-21,;26.32,-22.1,;24.84,-21.71,;26.73,-23.59,;28.22,-23.97,;29.3,-22.88,;25.65,-24.68,;26.06,-26.16,;27.55,-26.55,;24.98,-27.26,;25.4,-28.73,;23.5,-26.87,;23.08,-25.38,;24.16,-24.29,;21.59,-25,;28.27,-14.33,;26.79,-13.92,;29.36,-13.25,;28.98,-11.76,;27.5,-11.36,;27.11,-9.87,;25.63,-9.45,;25.25,-7.97,;23.77,-7.56,;22.67,-8.63,;23.38,-6.07,;30.07,-10.69,;31.56,-11.1,;31.17,-9.61,;30.79,-8.12,;30.41,-6.64,;28.92,-6.22,;31.5,-5.55,;31.12,-4.07,;32.22,-2.99,;33.7,-3.41,;34.79,-2.32,;36.27,-2.73,;37.37,-1.66,;36.99,-.16,;38.86,-2.06,;29.63,-3.65,;28.53,-4.74,;29.26,-2.17,;30.1,-.99,;29.26,.29,;27.78,-.11,;27.7,-1.65,;26.42,-2.49,;26.51,-4.02,;25.04,-1.8,;23.71,-2.58,;22.38,-1.82,;22.37,-.28,;21.05,-2.6,;19.71,-1.83,;19.7,-.3,;18.37,.46,;16.97,-.17,;15.95,.96,;16.7,2.29,;18.2,1.99,;18.39,-2.61,;18.4,-4.14,;17.06,-1.85,;15.72,-2.62,;15.73,-4.16,;14.41,-4.95,;13.07,-4.18,;11.75,-4.96,;11.76,-6.5,;13.09,-7.26,;14.42,-6.48,;14.39,-1.87,;14.38,-.33,;13.07,-2.64,;11.72,-1.88,;10.4,-2.67,;10.41,-4.19,;9.07,-1.91,;7.73,-2.68,;6.41,-1.92,;6.39,-.38,;5.07,-2.7,;-5.56,-2.77,;-5.57,-4.3,;-6.92,-2,;-8.24,-2.79,;-8.22,-4.32,;-9.56,-5.1,;-10.89,-4.34,;-12.22,-5.11,;-12.21,-6.65,;-10.86,-7.41,;-9.54,-6.64,;-9.58,-2.02,;-10.9,-2.8,;-9.59,-.48,)|
Structure:
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