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P13500 | CCL2_HUMAN | C-C motif chemokine 2 (CCL2)

3D structures mapped by conservation among orthologs

[ Domain: "IL8" // IL8 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2426334 OBDepict H 3 C O O CH 3 NH H CH 3 CH 3 HN O F F F F F F Ki = 3.9 nM 572.59 COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426351 OBDepict CH 3 O HN H CH 3 H 3 C NH O F F F F F F Ki = 6.1 nM 542.56 COc1ccc2c(c1)CCC2N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426335 OBDepict CH 3 CH 3 N H O H N H O F F F F F F O Ki = 6.3 nM 556.55 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3cc4c(cc32)OCO4)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL495368 OBDepict H 3 C CH 3 N H O H N H O F F F F F F Ki = 6.8 nM 480.49 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426340 OBDepict Br N H H H 3 C CH 3 N H O F F F F F F Ki = 7.2 nM 591.43 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426354 OBDepict Cl N H H H 3 C CH 3 N H O F F F F F F Ki = 18.0 nM 546.98 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426336 OBDepict CH 3 O N H H CH 3 CH 3 HN O F F F F F F Ki = 27.0 nM 556.59 COc1cccc2c1CCCC2N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426352 OBDepict HO N H H H 3 C CH 3 N H O F F F F F F Ki = 29.0 nM 528.54 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3cc(O)ccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL521697 OBDepict H 3 C CH 3 N H O H N H S F F F F F F Ki = 31.0 nM 496.56 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426345 OBDepict H 3 C CH 3 N H O H N H F F F F F F Ki = 33.0 nM 526.57 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCc3ccccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426337 OBDepict CH 3 H 3 C N H O H N H HO F F F F F F Ki = 35.0 nM 542.56 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCc3c(O)cccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426346 OBDepict CH 3 CH 3 N H O H N H H 2 N F F F F F F Ki = 43.0 nM 527.55 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3c(N)cccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL494019 OBDepict H 3 C CH 3 N H O H N H F F F F F F Ki = 50.0 nM 512.54 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426357 OBDepict N N H H H 3 C CH 3 N H O F F F F F F Ki = 54.0 nM 537.55 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426356 OBDepict CH 3 N H H CH 3 H 3 C HN O F F F F F F Ki = 55.0 nM 526.57 Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426348 OBDepict N N H H H 3 C CH 3 N H O F F F F F F Ki = 70.0 nM 537.55 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426347 OBDepict CH 3 CH 3 N H O H N H HO F F F F F F Ki = 86.0 nM 528.54 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3c(O)cccc32)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL493780 OBDepict H 3 C CH 3 N H O H N H F F F F F F Ki = 110.0 nM 478.52 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426333 OBDepict H 3 C O O H 3 C NH H CH 3 CH 3 HN O F F F F F F Ki = 130.0 nM 572.59 COc1ccc2c(c1OC)CCC2N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426344 OBDepict H 3 C CH 3 N H O H N H F F F F F F Ki = 134.0 nM 514.55 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCCCc2ccccc2)C1 Homo sapiens CHEMBL2428943 cell-based format
CHEMBL2426342 OBDepict CH 3 CH 3 N H O H N H F F F F F F Ki = 437.0 nM 486.5 CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCc2ccccc2)C1 Homo sapiens CHEMBL2428943 cell-based format