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P25025 | CXCR2_HUMAN | C-X-C chemokine receptor type 2 (CXCR2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4442431 OBDepict H H 3 C _ N O S O O H 3 C O S O O F F F + Na IC50 = 0.1 nM 397.33 C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.[Na+] Homo sapiens CHEMBL4309943 single protein format
CHEMBL577075 OBDepict H 3 C N N H CH 3 O HN O OH N O H 3 C CH 3 IC50 = 0.12 nM 346.39 CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O Homo sapiens CHEMBL4324666 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.24 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121480 single protein format
CHEMBL396573 OBDepict CH 3 N H H O O HN CH 3 O CH 3 HO N O H 3 C H 3 C Ki = 0.6 nM 439.51 CCC(C)c1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL246318 OBDepict CH 3 N H H O O HN CH 3 CH 3 O HO N O H 3 C H 3 C Ki = 0.8 nM 453.54 CCC(CC)c1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL254175 OBDepict CH 3 F N H H CH 3 CH 3 O HN O HO N O H 3 C H 3 C Ki = 1.0 nM 439.49 Cc1cc(F)cc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL245699 OBDepict CH 3 O N H H CH 3 O HN O HO N O H 3 C H 3 C Ki = 1.0 nM 411.46 CCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL256668 OBDepict OH NH H 3 C H N N S N N H O F F IC50 = 1.0 nM 379.39 C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL246108 OBDepict H 3 C NH H O O N H CH 3 CH 3 O OH N O CH 3 H 3 C Ki = 1.0 nM 425.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL446458 OBDepict OH NH CH 3 H N S S N N O H F F IC50 = 1.0 nM 384.43 C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL403225 OBDepict OH NH CH 3 H N S S N N O H F Cl IC50 = 1.0 nM 400.89 C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL246108 OBDepict H 3 C NH H O O N H CH 3 CH 3 O OH N O CH 3 H 3 C IC50 = 1.3 nM 425.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL402965 OBDepict H 3 C O F N H H CH 3 CH 3 O HN O HO N O H 3 C H 3 C Ki = 1.5 nM 455.49 COc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)cc1F Homo sapiens CHEMBL929862 single protein format
CHEMBL254775 OBDepict H 3 C NH H F F O N H O OH N O CH 3 H 3 C Ki = 1.7 nM 429.42 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(F)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL404074 OBDepict N F NH H H 3 C O N H O OH N O CH 3 H 3 C Ki = 1.7 nM 436.44 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(C#N)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL254176 OBDepict N CH 3 NH H H 3 C O N H O OH N O CH 3 H 3 C Ki = 1.9 nM 432.48 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(C#N)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL404918 OBDepict CH 3 H 3 C NH H F F O N H O OH N O CH 3 H 3 C Ki = 1.9 nM 443.45 CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(F)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL387431 OBDepict Cl N HO N O H 3 C CH 3 OH N HO IC50 = 2.0 nM 385.81 CN(C)C(=O)c1cc(Cl)cc(/N=c2c(O)c(O)c2=N/c2ccccc2)c1O Homo sapiens CHEMBL867334 cell-based format
CHEMBL246941 OBDepict CH 3 CH 3 O N H H 3 C H O HN O HO N O H 3 C H 3 C Ki = 2.0 nM 411.46 CC(C)c1coc([C@@H](C)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL4574181 OBDepict H 3 C NH H O CH 3 O N H O OH N N O CH 3 H 3 C IC50 = 2.0 nM 398.42 CC[C@@H](Nc1c(Nc2ccnc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL4324672 cell-based format
CHEMBL473959 OBDepict CH 3 N CH 3 O HO N H O HN O H F F F O Ki = 2.0 nM 423.35 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963305 single protein format
CHEMBL246106 OBDepict CH 3 O N H H CH 3 O HN O HO N O H 3 C H 3 C Ki = 2.0 nM 439.51 CCCCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL523769 OBDepict H 3 C CH 3 O N H H F F CH 3 O HN O HO N O H 3 C H 3 C Ki = 2.0 nM 461.47 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)c1 Homo sapiens CHEMBL963305 single protein format
CHEMBL272105 OBDepict OH N H CH 3 H N N S N N H O O O H 3 C F F IC50 = 2.0 nM 437.43 COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O Homo sapiens CHEMBL949060 cell-based format
CHEMBL271012 OBDepict OH NH CH 3 H N S S N N O H F IC50 = 2.0 nM 366.44 C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL211468 OBDepict H 3 C N H 3 C O OH N HO N OH IC50 = 2.0 nM 351.36 CN(C)C(=O)c1cccc(/N=c2c(O)c(O)c2=N/c2ccccc2)c1O Homo sapiens CHEMBL867334 cell-based format
CHEMBL403547 OBDepict _ O + S N HN HN HN H CH 3 CH 3 H 3 C O HO N O CH 3 H 3 C Ki = 2.3 nM 431.52 CN(C)C(=O)c1cccc(Nc2n[s+]([O-])nc2N[C@@H](c2ccco2)C(C)(C)C)c1O Homo sapiens CHEMBL927478 single protein format
CHEMBL216981 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C IC50 = 2.6 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL254943 OBDepict _ O + S N N H NH N H H OH O H 3 C CH 3 N O H 3 C H 3 C CH 3 CH 3 Ki = 2.7 nM 445.55 Cc1cc([C@H](Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C Homo sapiens CHEMBL927478 single protein format
CHEMBL427888 OBDepict OH O NH H 3 C O N H O OH N O CH 3 H 3 C IC50 = 2.8 nM 413.43 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL254174 OBDepict H 3 C NH H CH 3 F O N H O OH N O CH 3 H 3 C Ki = 2.8 nM 425.46 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(F)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL209859 OBDepict N OH N H HO N O IC50 = 3.0 nM 305.29 N#Cc1ccc(Nc2c(O)c(=O)/c2=Nc2ccccc2)c(O)c1 Homo sapiens CHEMBL867334 cell-based format
CHEMBL429791 OBDepict OH N H CH 3 H N S S N N NH 2 F Cl IC50 = 3.0 nM 399.9 C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2nc(N)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL253306 OBDepict H 3 C N H H O N H CH 3 + S N NH _ O OH N O CH 3 CH 3 Ki = 3.0 nM 417.49 CC[C@@H](Nc1n[s+]([O-])nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 Homo sapiens CHEMBL927478 single protein format
CHEMBL560089 OBDepict H 3 C NH H O N H O OH N N O CH 3 H 3 C Ki = 3.0 nM 418.45 CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL246731 OBDepict H 3 C NH H O O N H O OH N O CH 3 H 3 C Ki = 3.0 nM 451.52 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C2CCCC2)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL247150 OBDepict CH 3 H 3 C O N H H O HN O HO N O H 3 C H 3 C Ki = 3.0 nM 437.5 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CC2)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL269707 OBDepict H 3 C NH H N O N H O OH N O CH 3 H 3 C IC50 = 3.3 nM 394.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1 Homo sapiens CHEMBL927214 single protein format
CHEMBL401940 OBDepict H 3 C NH H S O N H O OH N O CH 3 H 3 C IC50 = 3.4 nM 399.47 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 Homo sapiens CHEMBL927214 single protein format
CHEMBL401939 OBDepict H 3 C NH H O Br O N H O OH N O CH 3 H 3 C IC50 = 3.5 nM 462.3 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 Homo sapiens CHEMBL927214 single protein format
CHEMBL251811 OBDepict H 3 C N H O O N H O OH N O CH 3 H 3 C IC50 = 3.5 nM 433.46 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc2ccccc2o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL216603 OBDepict H 3 C O N H H O HN O HO N O H 3 C H 3 C IC50 = 3.6 nM 409.44 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CC2)o1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL253714 OBDepict H 3 C NH H O Cl O N H O OH N O CH 3 H 3 C IC50 = 3.8 nM 417.85 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 Homo sapiens CHEMBL927214 single protein format
CHEMBL376414 OBDepict CH 3 O N H H CH 3 H 3 C CH 3 O HN O HO N O H 3 C H 3 C IC50 = 3.8 nM 425.49 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)C)o1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL218115 OBDepict H 3 C NH H O O N H O OH N O CH 3 H 3 C IC50 = 3.8 nM 383.4 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL523645 OBDepict CH 3 O N H H F F F F F O HN O HO N O H 3 C H 3 C Ki = 4.0 nM 487.38 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)C(F)(F)F)o1 Homo sapiens CHEMBL963305 single protein format
CHEMBL516184 OBDepict CH 3 O N H H F H 3 C H O HN O HO N O H 3 C H 3 C Ki = 4.0 nM 415.42 Cc1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)[C@H](C)F)c1 Homo sapiens CHEMBL963305 single protein format
CHEMBL394899 OBDepict H 3 C NH H O O N H CH 3 H 3 C CH 3 O OH N O CH 3 H 3 C Ki = 4.0 nM 439.51 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)(C)C)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL246733 OBDepict H 3 C NH H O O N H O OH N O CH 3 H 3 C Ki = 4.0 nM 465.55 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C2CCCCC2)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL397237 OBDepict OH N H CH 3 H N S S N N NH 2 F F IC50 = 4.0 nM 383.45 C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL375393 OBDepict N N N H NH Br OH S F N O O H 3 C H 3 C IC50 = 4.0 nM 456.3 CN(C)S(=O)(=O)c1c(F)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O Homo sapiens CHEMBL908413 cell-based format
CHEMBL253305 OBDepict _ O + S N HN HN HN H CH 3 CH 3 H 3 C HO N O CH 3 H 3 C Ki = 4.0 nM 441.56 CN(C)C(=O)c1cccc(Nc2n[s+]([O-])nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O Homo sapiens CHEMBL927478 single protein format
CHEMBL247149 OBDepict H 3 C CH 3 O N H H CH 3 CH 3 O HN O HO N O H 3 C H 3 C Ki = 4.0 nM 439.51 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL247356 OBDepict H 3 C CH 3 O N H H CH 3 H 3 C CH 3 O HN O HO N O H 3 C H 3 C Ki = 4.0 nM 453.54 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)C)c1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL557466 OBDepict H 3 C NH H O N H O OH Br N O CH 3 H 3 C Ki = 4.0 nM 472.34 CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL245501 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 4.0 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL252852 OBDepict CH 3 O N H CH 3 O HN O HO N O H 3 C H 3 C IC50 = 4.1 nM 411.46 CCc1ccc(C(CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL2349306 OBDepict HO NH H N CH 3 CH 3 S S N N O H F F Ki = 4.1 nM 426.51 CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL2351084 cell-based format
CHEMBL254982 OBDepict H 3 C N H H F F F CH 3 CH 3 O HN O HO N O H 3 C H 3 C Ki = 4.4 nM 489.49 Cc1cc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)cc(C(F)(F)F)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL253497 OBDepict H 3 C N H O Cl O N H O OH N O CH 3 H 3 C IC50 = 4.5 nM 417.85 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 Homo sapiens CHEMBL927214 single protein format
CHEMBL562781 OBDepict H 3 C NH H O N H O CH 3 OH N O CH 3 H 3 C Ki = 4.5 nM 407.47 CC[C@@H](Nc1c(Nc2c(C)ccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL254776 OBDepict F F HN H O N H O HO N O CH 3 CH 3 Ki = 4.5 nM 441.43 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(F)cc(F)c3)C3CC3)c(=O)c2=O)c1O Homo sapiens CHEMBL929862 single protein format
CHEMBL404490 OBDepict H 3 C NH H O Cl O N H O OH N O CH 3 H 3 C IC50 = 4.6 nM 417.85 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL253050 OBDepict H 3 C N H O Br O N H O OH N O CH 3 H 3 C IC50 = 4.7 nM 462.3 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Br)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL253495 OBDepict CH 3 N CH 3 O HO HN N S N N H O O H H 3 C H 3 C CH 3 O O Ki = 4.7 nM 501.57 CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O Homo sapiens CHEMBL927478 single protein format
CHEMBL254370 OBDepict H 3 C NH H O N H O OH N O CH 3 H 3 C Ki = 4.7 nM 393.44 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL929862 single protein format
CHEMBL253051 OBDepict H 3 C N H O Cl O N H O OH N O CH 3 H 3 C IC50 = 4.8 nM 417.85 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL401512 OBDepict H 3 C NH H F O N H O OH N O CH 3 H 3 C IC50 = 4.9 nM 411.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL214047 OBDepict H 3 C N CH 3 HO N OH HO N O H 3 C CH 3 IC50 = 5.0 nM 345.4 CCC(CC)/N=c1c(O)c(O)c1=N/c1cccc(C(=O)N(C)C)c1O Homo sapiens CHEMBL867334 cell-based format
CHEMBL252851 OBDepict H 3 C N H O O N H O OH N O CH 3 H 3 C IC50 = 5.0 nM 383.4 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 Homo sapiens CHEMBL927214 single protein format
CHEMBL220182 OBDepict H 3 C NH H O O N H O O OH N O CH 3 H 3 C IC50 = 5.0 nM 437.45 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL909848 cell-based format
CHEMBL253498 OBDepict H 3 C N H O Br O N H O OH N O CH 3 H 3 C IC50 = 5.0 nM 462.3 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 Homo sapiens CHEMBL927214 single protein format
CHEMBL253304 OBDepict H 3 C N H H N H + S N NH _ O OH N O CH 3 CH 3 Ki = 5.0 nM 413.5 CC[C@@H](Nc1n[s+]([O-])nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 Homo sapiens CHEMBL927478 single protein format
CHEMBL272705 OBDepict OH HN CH 3 H N S S N N O H O IC50 = 5.0 nM 338.41 C[C@H](CO)Nc1nc(SCc2ccco2)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL402986 OBDepict OH NH CH 3 H N S S N N O H IC50 = 5.0 nM 348.45 C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL523437 OBDepict H 3 C F F NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 5.0 nM 447.44 CCC(F)(F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL963305 single protein format
CHEMBL218387 OBDepict N N N H NH Br OH S Cl N O O H 3 C H 3 C IC50 = 5.0 nM 472.75 CN(C)S(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O Homo sapiens CHEMBL908413 cell-based format
CHEMBL403206 OBDepict _ O + S HN N NH NH H H 3 C H 3 C CH 3 O OH H 3 C N O CH 3 CH 3 Ki = 5.0 nM 445.55 Cc1ccc([C@H](Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1 Homo sapiens CHEMBL927478 single protein format
CHEMBL556862 OBDepict CH 3 NH H O N H O OH N O O HO Ki = 5.0 nM 463.49 CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCCC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL429682 OBDepict HO N H H 3 C H N S S N N N H S O O CH 3 F F IC50 = 5.0 nM 461.54 C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12 Homo sapiens CHEMBL949060 cell-based format
CHEMBL518857 OBDepict O O HN N H H OH F F F N O O H 3 C CH 3 O Ki = 5.0 nM 477.4 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4c(c3)OCO4)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963305 single protein format
CHEMBL393900 OBDepict H 3 C NH H S CH 3 O N H O OH N O CH 3 H 3 C Ki = 5.0 nM 413.5 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cs1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL415446 OBDepict H 3 C NH H S CH 3 O N H O OH N O CH 3 H 3 C Ki = 5.0 nM 413.5 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL216981 OBDepict H 3 C NH H O CH 3 O N H O OH N O CH 3 H 3 C Ki = 5.0 nM 397.43 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL886375 cell-based format
CHEMBL385715 OBDepict H 3 C NH H S O N H O OH N O CH 3 H 3 C Ki = 5.0 nM 399.47 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL523807 OBDepict O O HN N H H OH F F F O N O Cl Cl H 3 C CH 3 Ki = 5.0 nM 492.24 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)c(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963305 single protein format
CHEMBL491135 OBDepict Cl O NH H F F F O N H O HO N O CH 3 CH 3 Ki = 5.0 nM 457.79 CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)co3)C(F)(F)F)c(=O)c2=O)c1O Homo sapiens CHEMBL963305 single protein format
CHEMBL473145 OBDepict CH 3 N CH 3 O HO N H O HN O H O F F F Ki = 5.0 nM 437.37 CN(C)C(=O)c1cccc(Nc2c(N[C@H](CC(F)(F)F)c3ccco3)c(=O)c2=O)c1O Homo sapiens CHEMBL963305 single protein format
CHEMBL563875 OBDepict H 3 C NH H S O N H O OH N N O CH 3 H 3 C Ki = 5.0 nM 424.48 CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 Homo sapiens CHEMBL1055929 single protein format
CHEMBL515262 OBDepict CH 3 O N H H F F F O HN O HO N O H 3 C H 3 C Ki = 5.0 nM 437.37 Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)o1 Homo sapiens CHEMBL963305 single protein format
CHEMBL2178579 OBDepict O N H HN Cl HO F S Cl N O O HN IC50 = 5.1 nM 463.32 O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl Homo sapiens CHEMBL2184853 single protein format
CHEMBL254173 OBDepict CH 3 O F NH H H 3 C O N H O OH N O CH 3 H 3 C Ki = 5.2 nM 441.46 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)c(F)c1 Homo sapiens CHEMBL929862 single protein format
CHEMBL415446 OBDepict H 3 C NH H S CH 3 O N H O OH N O CH 3 H 3 C IC50 = 5.3 nM 413.5 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL216602 OBDepict CH 3 O N H H 3 C H O HN O HO N O H 3 C H 3 C IC50 = 5.4 nM 383.4 Cc1ccc([C@@H](C)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)o1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL404249 OBDepict H 3 C N H O CH 3 O N H O OH N O CH 3 H 3 C IC50 = 5.7 nM 397.43 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 Homo sapiens CHEMBL927214 single protein format
CHEMBL252898 OBDepict H 3 C N H S O N H O OH N O CH 3 H 3 C IC50 = 5.8 nM 399.47 CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 Homo sapiens CHEMBL927214 single protein format
CHEMBL28009 OBDepict N Br OH N H N H O Br IC50 = 6.0 nM 411.05 N#Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1Br Homo sapiens CHEMBL656551 assay format
CHEMBL221481 OBDepict N N HN N H Br OH S CH 3 HN O O N CH 3 CH 3 O IC50 = 6.0 nM 579.52 CCC(CC)(NS(=O)(=O)c1c(C)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCOCC1 Homo sapiens CHEMBL908413 cell-based format
CHEMBL385715 OBDepict H 3 C NH H S O N H O OH N O CH 3 H 3 C IC50 = 6.0 nM 399.47 CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 Homo sapiens CHEMBL909848 cell-based format
CHEMBL442799 OBDepict H 3 C CH 3 O N H H F F F O HN O HO N O H 3 C H 3 C Ki = 6.0 nM 465.43 CC(C)c1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(F)(F)F)c1 Homo sapiens CHEMBL886375 cell-based format