Reaction Details Report a problem with these data
Target
IgG receptor FcRn large subunit p51
Ligand
BDBM50270895
Substrate
n/a
Meas. Tech.
ChEMBL_552585 (CHEMBL956457)
pH
6±n/a
Kd
3800±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:
BDBM50270895
Synonyms:
CHEMBL526337
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:81.86,59.71,51.55,92.98,37.47,8.7,4.4,98.102,113.120,123.129,138.146,wD:70.82,55.59,26.36,117.123,15.24,(36.09,-8.17,;34.58,-8.45,;34.06,-9.9,;33.58,-7.28,;32.07,-7.56,;31.07,-6.38,;31.59,-4.93,;33.1,-4.65,;30.58,-3.75,;31.72,-2.73,;31.1,-1.33,;29.58,-1.49,;29.26,-2.99,;27.92,-3.76,;27.92,-5.3,;26.58,-2.99,;26.58,-1.45,;27.91,-.68,;29.25,-1.45,;30.58,-.68,;30.58,.86,;29.23,1.63,;27.91,.86,;25.25,-3.75,;23.92,-2.99,;23.92,-1.45,;22.59,-3.76,;22.59,-5.3,;23.92,-6.07,;25.24,-5.3,;26.58,-6.07,;26.58,-7.6,;25.26,-8.38,;23.92,-7.62,;21.26,-2.99,;19.92,-3.76,;19.92,-5.3,;18.59,-2.99,;18.59,-1.45,;19.92,-.68,;21.34,-1.31,;22.36,-.16,;21.58,1.17,;20.08,.84,;17.25,-3.76,;15.92,-2.99,;15.92,-1.45,;14.59,-3.76,;13.25,-2.99,;11.92,-3.76,;11.92,-5.3,;10.59,-2.99,;9.25,-3.76,;7.92,-2.99,;7.92,-1.45,;6.59,-3.76,;5.25,-2.99,;3.91,-3.76,;3.91,-5.3,;2.59,-2.99,;2.59,-1.45,;3.91,-.68,;5.26,-1.45,;6.58,-.68,;6.58,.86,;5.25,1.62,;3.91,.84,;1.25,-3.76,;-.09,-2.99,;-.09,-1.45,;-1.41,-3.76,;-1.41,-5.3,;-.09,-6.07,;-.09,-7.61,;1.25,-8.38,;1.25,-9.92,;-.09,-10.69,;2.59,-10.69,;-2.75,-2.99,;-4.09,-3.76,;-4.09,-5.3,;-5.42,-2.99,;-6.75,-3.76,;-5.42,-1.45,;-4.09,-.68,;-4.09,.86,;-5.42,1.63,;-2.75,1.63,;6.59,-5.3,;8.13,-5.3,;5.05,-5.3,;6.59,-6.84,;10.59,-1.45,;9.25,-.68,;11.92,-.68,;31.55,-9,;30.03,-9.28,;32.54,-10.18,;32.03,-11.63,;33.02,-12.8,;34.54,-12.52,;35.06,-11.09,;36.56,-10.81,;37.56,-11.97,;39.08,-11.7,;37.05,-13.42,;35.54,-13.7,;30.51,-11.91,;29.51,-10.73,;29.99,-13.35,;30.8,-14.8,;29.67,-16.05,;28.14,-15.36,;28.56,-13.87,;27.43,-12.82,;27.76,-11.32,;25.96,-13.28,;24.83,-12.24,;25.17,-10.74,;24.03,-9.69,;23.35,-12.69,;23.02,-14.19,;22.22,-11.65,;20.76,-12.11,;20.42,-13.61,;18.95,-14.07,;17.81,-13.02,;18.61,-15.57,;19.62,-11.06,;19.96,-9.56,;18.15,-11.52,;17.02,-10.48,;15.55,-10.93,;15.21,-12.43,;14.42,-9.89,;12.75,-10.08,;12.04,-8.58,;13.26,-7.43,;14.48,-8.39,;15.87,-7.75,;16,-6.21,;17.14,-8.62,)|
Structure:
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