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Q6W5P4 | NPSR1_HUMAN | Neuropeptide S receptor (NPSR1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3086835 OBDepict _ O O F F F H 3 C + N N P S IC50 < 0.5 nM 580.61 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCCc1ccccc1.O=C([O-])C(F)(F)F Homo sapiens CHEMBL3088890 cell-based format
CHEMBL1474387 OBDepict H 3 C + N N P S _ Br IC50 = 3.5 nM 545.49 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccccc1.[Br-] Homo sapiens CHEMBL3088889 cell-based format
CHEMBL1210313 OBDepict H 3 C N CH 3 O N O N CH 3 O IC50 = 6.7 nM 467.65 CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 Homo sapiens CHEMBL3088889 cell-based format
CHEMBL1514777 OBDepict H 3 C N N P S IC50 = 9.1 nM 348.41 Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3088890 cell-based format
CHEMBL3086834 OBDepict O + N N H 3 C P S _ Br IC50 = 13.0 nM 547.46 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C(=O)Cc1ccccc1.[Br-] Homo sapiens CHEMBL3088890 cell-based format
CHEMBL1553073 OBDepict H 3 C + N N P S _ Br IC50 = 15.0 nM 561.53 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCCCc1ccccc1.[Br-] Homo sapiens CHEMBL3088890 cell-based format
CHEMBL1315807 OBDepict H 3 C + N N P S _ Br IC50 = 16.0 nM 533.48 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCc1ccccc1.[Br-] Homo sapiens CHEMBL3088890 cell-based format
CHEMBL3086833 OBDepict _ O O F F F H 3 C + N N P S IC50 = 16.0 nM 552.56 Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1Cc1ccccc1.O=C([O-])C(F)(F)F Homo sapiens CHEMBL3088890 cell-based format
CHEMBL469695 OBDepict F N H N O N O O IC50 = 25.0 nM 445.49 O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1 Homo sapiens CHEMBL3088889 cell-based format
CHEMBL1598051 OBDepict CH 3 N + N H 3 C P S _ I IC50 = 30.0 nM 490.35 Cc1c(P(=S)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C.[I-] Homo sapiens CHEMBL3088890 cell-based format
CHEMBL3085788 OBDepict CH 3 O O CH 3 N O NH N N O IC50 = 190.0 nM 500.6 COc1ccc(C2c3c(ccc4ccccc34)OC3N=CN(CCN4CCOCC4)C(=N)C32)cc1OC Homo sapiens CHEMBL3088898 single protein format