Reaction Details | |||
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Target | C5a anaphylatoxin chemotactic receptor 1 | ||
Ligand | BDBM50192063 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_394610 (CHEMBL910269) | ||
IC50 | 190±n/a nM | ||
Citation | Schnatbaum, K; Locardi, E; Scharn, D; Richter, U; Hawlisch, H; Knolle, J; Polakowski, T Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett16:5088-92 (2006) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
C5a anaphylatoxin chemotactic receptor 1 | |||
Name: | C5a anaphylatoxin chemotactic receptor 1 | ||
Synonyms: | C5AR | C5AR1 | C5AR1_HUMAN | C5R1 | C5a anaphylatoxin chemotactic receptor | C5a anaphylatoxin chemotactic receptor (C5aR) | C5a-R | CD_antigen=CD88 | ||
Type: | Enzyme | ||
Mol. Mass.: | 39347.68 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P21730 | ||
Residue: | 350 | ||
Sequence: |
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BDBM50192063 | |||
n/a | |||
Name | BDBM50192063 | ||
Synonyms: | Ac-Phe-Orn-Pro-cha-Trp-Arg-NH2 | CHEMBL373600 | ||
Type | Small organic molecule | ||
Emp. Form. | C47H68N12O7 | ||
Mol. Mass. | 913.119 | ||
SMILES | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |wU:30.31,wD:26.28,4.3,55.59,15.15,41.43,(13.44,-22.24,;14.22,-23.57,;13.44,-24.92,;15.76,-23.57,;16.53,-22.24,;18.08,-22.24,;18.84,-23.57,;20.4,-23.58,;21.16,-24.91,;20.39,-26.25,;18.84,-26.24,;18.08,-24.91,;15.77,-20.91,;14.22,-20.91,;16.53,-19.58,;15.78,-18.24,;16.54,-16.9,;18.09,-16.9,;18.85,-15.56,;20.4,-15.57,;14.23,-18.24,;13.45,-19.57,;13.23,-16.5,;14.02,-15.02,;12.81,-14,;11.5,-14.8,;11.85,-16.3,;11.85,-17.84,;13.18,-18.61,;10.52,-18.61,;9.19,-17.84,;9.19,-16.3,;7.86,-15.53,;7.85,-13.98,;6.53,-13.21,;5.19,-13.98,;5.18,-15.52,;6.52,-16.3,;7.86,-18.61,;6.53,-17.84,;7.86,-20.15,;6.53,-20.93,;6.53,-22.47,;7.81,-23.3,;9.22,-22.75,;10.21,-23.94,;9.41,-25.25,;9.84,-26.72,;8.76,-27.85,;7.28,-27.47,;6.84,-26,;7.91,-24.88,;5.19,-20.15,;5.19,-18.61,;3.85,-20.92,;2.52,-20.15,;1.17,-20.92,;-.16,-20.15,;-1.49,-20.92,;-2.82,-20.15,;-4.16,-20.92,;-5.5,-20.15,;-4.17,-22.46,;2.52,-18.61,;3.85,-17.83,;1.17,-17.83,)| | ||
Structure |