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P05413 | FABPH_HUMAN | "Fatty acid-binding protein, heart" (FABP3)

3D structures mapped by conservation among orthologs

[ Domain: "Lipocalins" // Lipocalin_7 ]

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[ 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
CHEMBL247298 OBDepict HO O O O Cl T Cl Cl T Cl Ki = 4.0 nM 476.17 [3H]c1c(Cl)ccc(COc2cccc(C(=O)O)c2OCc2ccc(Cl)c([3H])c2Cl)c1Cl Homo sapiens CHEMBL887935 single protein format
CHEMBL116533 OBDepict HO O O N O Ki = 32.0 nM 413.47 O=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 Homo sapiens CHEMBL887935 single protein format
CHEMBL460750 OBDepict OH O N F F F IC50 = 34.0 nM 387.4 O=C(O)c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCCC3 Homo sapiens CHEMBL964128 single protein format
CHEMBL1738980 OBDepict Cl N CH 3 O OH Ki = 93.0 nM 297.74 Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O Homo sapiens CHEMBL3861357 single protein format
CHEMBL3950316 OBDepict Cl CH 3 N N O OH Ki = 100.0 nM 380.88 Cc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12 Homo sapiens CHEMBL3861357 single protein format
CHEMBL394440 OBDepict CH 3 N N O OH Ki = 110.0 nM 444.53 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)O)c1 Homo sapiens CHEMBL887935 single protein format
CHEMBL247529 OBDepict H 3 C O O O HO Ki = 220.0 nM 474.56 CCc1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)oc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887935 single protein format
CHEMBL3400905 OBDepict H 3 C CH 3 O HO CH 3 CH 3 H 3 C CH 3 IC50 = 230.0 nM 248.37 CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C)C)c1 Homo sapiens CHEMBL3404793 single protein format
CHEMBL247920 OBDepict CH 3 N N O O OH Ki = 250.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL887935 single protein format
CHEMBL4644782 OBDepict Cl NH O O OH Ki = 350.0 nM 363.8 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1 Homo sapiens CHEMBL4605258 assay format
CHEMBL248120 OBDepict CH 3 N N OH O HO Ki = 360.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(O)C(=O)O)c1 Homo sapiens CHEMBL887935 single protein format
CHEMBL3947458 OBDepict Cl N O OH H 3 C CH 3 Ki = 390.0 nM 325.8 CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O Homo sapiens CHEMBL3861357 single protein format
CHEMBL3971182 OBDepict Cl Cl N N O HO Ki = 400.0 nM 401.29 O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1 Homo sapiens CHEMBL3861357 single protein format
CHEMBL3400157 OBDepict CH 3 H 3 C S O O OH H 3 C H 3 C CH 3 H 3 C IC50 = 450.0 nM 284.42 CC(C)c1cc(C(C)C)c(S(=O)(=O)O)c(C(C)C)c1 Homo sapiens CHEMBL3404793 single protein format
CHEMBL185595 OBDepict HO O N IC50 < 600.0 nM 253.3 O=C(O)CCCn1c2ccccc2c2ccccc21 Homo sapiens CHEMBL830870 tissue-based format
CHEMBL474743 OBDepict F N O HO IC50 = 680.0 nM 323.37 O=C(O)c1cccc2c3c(n(Cc4ccccc4F)c12)CCCC3 Homo sapiens CHEMBL964126 single protein format
CHEMBL2334261 OBDepict OH O O N N Cl IC50 = 695.0 nM 432.91 O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 Homo sapiens CHEMBL2339129 single protein format
CHEMBL2334256 OBDepict OH O O N N Cl IC50 = 733.0 nM 432.91 O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 Homo sapiens CHEMBL2339129 single protein format
CHEMBL2334255 OBDepict OH O O N N Br IC50 = 733.0 nM 477.36 O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 Homo sapiens CHEMBL2339129 single protein format
CHEMBL4640209 OBDepict Cl NH N N O OH H Ki = 740.0 nM 363.8 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1 Homo sapiens CHEMBL4605258 assay format
CHEMBL2334257 OBDepict HO O O N N CH 3 CH 3 IC50 = 787.0 nM 440.54 CC(C)c1ccc(-n2nc(-c3ccccc3OCCCC(=O)O)cc2-c2ccccc2)cc1 Homo sapiens CHEMBL2339129 single protein format
CHEMBL4644705 OBDepict Cl HN O O O OH Ki = 860.0 nM 367.79 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2c(c1)OCO2 Homo sapiens CHEMBL4605258 assay format
CHEMBL4632412 OBDepict Cl NH O OH Ki = 1000.0 nM 323.78 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1 Homo sapiens CHEMBL4605258 assay format
CHEMBL267476 OBDepict CH 3 O OH IC50 = 1000.0 nM 280.45 CCCCC/C=CC/C=CCCCCCCCC(=O)O Homo sapiens CHEMBL1120073 cell-based format