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P06702 | S10A9_HUMAN | Protein S100-A9 (S100A9)

3D structures mapped by conservation among orthologs

[ Domain: "EF-hand" // S_100 ]

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[ 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
CHEMBL4452496 OBDepict Cl N N HO HN S O O Cl Cl IC50 = 100.0 nM 368.63 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nnc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4590954 OBDepict CH 3 S O O N N HO N H S O O Cl Cl IC50 = 100.0 nM 426.3 CCS(=O)(=O)c1cc(O)c(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)nn1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4522931 OBDepict Cl N HO HN S O O Cl Cl IC50 = 120.0 nM 367.64 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4440147 OBDepict N N HO HN S O O Cl Cl IC50 = 120.0 nM 358.21 N#Cc1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4460770 OBDepict Cl Cl S HN O O N OH S O O IC50 = 120.0 nM 465.38 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncc(S(=O)(=O)C2CCCC2)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4464961 OBDepict Cl Cl S HN O O N HO S O O CH 3 IC50 = 140.0 nM 411.29 CS(=O)(=O)c1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4458511 OBDepict Cl N N HN HO S O O Cl Cl IC50 = 180.0 nM 368.63 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nc(Cl)ncc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4579094 OBDepict Br N N HO HN S O O Cl Cl IC50 = 250.0 nM 413.08 O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ncc(Br)nc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4458209 OBDepict Cl N N HO HN S O O F Cl IC50 = 300.0 nM 352.17 O=S(=O)(Cc1cc(F)cc(Cl)c1)Nc1nnc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4538232 OBDepict N N Cl HN S HO O O Cl Cl IC50 = 390.0 nM 392.65 N#Cc1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)cc1Cl Homo sapiens CHEMBL4418749 assay format
CHEMBL4461753 OBDepict Cl S N H O O N N HO Cl IC50 = 410.0 nM 334.18 O=S(=O)(Cc1cccc(Cl)c1)Nc1nnc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4476679 OBDepict HO N N N H S S O O CH 3 O O Cl Cl IC50 = 420.0 nM 412.28 CS(=O)(=O)c1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)n1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4442010 OBDepict Cl Cl S HN O O N HO S Cl O O H 3 C IC50 = 530.0 nM 445.73 CS(=O)(=O)c1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)cc1Cl Homo sapiens CHEMBL4418749 assay format
CHEMBL4457224 OBDepict Cl N N HO HN S O O Cl Cl IC50 = 700.0 nM 354.6 O=S(=O)(Nc1nnc(Cl)cc1O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4457635 OBDepict Cl N HO HN S O O Cl Cl IC50 = 800.0 nM 367.64 O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cnc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4522111 OBDepict N Cl S NH O O N N OH Cl IC50 = 980.0 nM 359.19 N#Cc1ccc(Cl)c(CS(=O)(=O)Nc2nnc(Cl)cc2O)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4451240 OBDepict Cl N OH NH S O O N Cl N IC50 < 1000.0 nM 403.29 O=S(=O)(Cc1cnc(N2CCCC2)c(Cl)c1)Nc1ccc(Cl)nc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4569952 OBDepict H 3 C O N Cl S NH O O OH N Cl IC50 < 1000.0 nM 364.21 COc1ncc(CS(=O)(=O)Nc2ccc(Cl)nc2O)cc1Cl Homo sapiens CHEMBL4418749 assay format
CHEMBL4448201 OBDepict H 3 C S NH O O OH N Cl IC50 < 1000.0 nM 326.8 CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2O)cc1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4463699 OBDepict Cl Cl S NH O O OH N Cl Cl IC50 < 1000.0 nM 402.09 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)c(Cl)nc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4448616 OBDepict Cl Cl S N H O O HO N Cl IC50 < 1000.0 nM 353.61 O=S(=O)(Nc1ccnc(Cl)c1O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4445969 OBDepict Cl Cl S NH O O OH N IC50 < 1000.0 nM 333.2 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ccncc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4448485 OBDepict Cl Cl S NH O O N OH N F F F IC50 < 1000.0 nM 402.18 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nc(C(F)(F)F)ncc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4585292 OBDepict N N N HO HN S O O Cl Cl IC50 < 1000.0 nM 359.19 N#Cc1cnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)n1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4457807 OBDepict Cl Cl S HN O O N OH N Br F F F IC50 < 1000.0 nM 481.08 O=S(=O)(Nc1ncc(Br)nc1O)C(c1cc(Cl)cc(Cl)c1)C(F)(F)F Homo sapiens CHEMBL4418749 assay format
CHEMBL4468610 OBDepict OH S O O N N HO N H S O O Cl Cl IC50 < 1000.0 nM 456.33 O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1nnc(S(=O)(=O)CCCO)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4529547 OBDepict Cl N N HO HN S O O F F IC50 < 1000.0 nM 335.72 O=S(=O)(Cc1ccc(F)c(F)c1)Nc1nnc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4435775 OBDepict Cl N HO HN S O O Cl S Cl IC50 < 1000.0 nM 373.67 O=S(=O)(Cc1cc(Cl)sc1Cl)Nc1ncc(Cl)cc1O Homo sapiens CHEMBL4418749 assay format
CHEMBL4446307 OBDepict H 3 C S Cl S NH O O OH N Cl IC50 < 1000.0 nM 393.32 CCSc1cc(Cl)cc(CS(=O)(=O)Nc2ccc(Cl)nc2O)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4524415 OBDepict CH 3 O N Br S NH O O N N OH Cl IC50 = 1000.0 nM 395.62 COc1ncc(S(=O)(=O)Nc2nnc(Cl)cc2O)cc1Br Homo sapiens CHEMBL4418749 assay format
CHEMBL4467178 OBDepict Cl N N HN HO S O O Cl Cl IC50 < 1000.0 nM 354.6 O=S(=O)(Nc1nc(Cl)ncc1O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4418749 assay format
CHEMBL4463678 OBDepict CH 3 S O O N HO N H S O O Cl Cl IC50 < 1000.0 nM 425.32 CCS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)n1 Homo sapiens CHEMBL4418749 assay format