Ki Summary

Reaction Details

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Target

N-formyl peptide receptor 2

Ligand

BDBM50238900

Substrate

n/a

Meas. Tech.

ChEMBL_1664517 (CHEMBL4014198)

IC50

18±n/a nM

Citation

Skovbakke, SL; Skovbakke, SL; Skovbakke, SL; Holdfeldt, A; Holdfeldt, A; Holdfeldt, A; Nielsen, C; Nielsen, C; Nielsen, C; Hansen, AM; Hansen, AM; Hansen, AM; Perez-Gassol, I; Perez-Gassol, I; Perez-Gassol, I; Dahlgren, C; Dahlgren, C; Dahlgren, C; Forsman, H; Forsman, H; Forsman, H; Franzyk, H; Franzyk, H; Franzyk, H Combining Elements from Two Antagonists of Formyl Peptide Receptor 2 Generates More Potent Peptidomimetic Antagonists. J Med Chem 60:6991-6997 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

N-formyl peptide receptor 2

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

38968.35

Organism:

Homo sapiens (Human)

Description:

P25090

Residue:

351

Sequence:

METNFSTPLNEYEEVSYESAGYTVLRILPLVVLGVTFVLGVLGNGLVIWVAGFRMTRTVTTICYLNLALADFSFTATLPFLIVSMAMGEKWPFGWFLCKLIHIVVDINLFGSVFLIGFIALDRCICVLHPVWAQNHRTVSLAMKVIVGPWILALVLTLPVFLFLTTVTIPNGDTYCTFNFASWGGTPEERLKVAITMLTARGIIRFVIGFSLPMSIVAICYGLIAAKIHKKGMIKSSRPLRVLTAVVASFFICWFPFQLVALLGTVWLKEMLFYGKYKIIDILVNPTSSLAFFNSCLNPMLYVFVGQDFRERLIHSLPTSLERALSEDSAPTNDTAANSASPPAETELQAM

Inhibitor

Name:

BDBM50238900

Synonyms:

CHEMBL4090485

Type:

Small organic molecule

Emp. Form.:

C108H147N18O12

Mol. Mass.:

1889.4356

SMILES:

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)|

Structure: