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Q01469 | FABP5_HUMAN | Fatty acid-binding protein 5 (FABP5)

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
CHEMBL378181 OBDepict OH O O O O Cl Cl Ki < 2.0 nM 431.27 O=C(O)C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869162 single protein format
CHEMBL247298 OBDepict HO O O O Cl T Cl Cl T Cl Ki = 2.0 nM 476.17 [3H]c1c(Cl)ccc(COc2cccc(C(=O)O)c2OCc2ccc(Cl)c([3H])c2Cl)c1Cl Homo sapiens CHEMBL887936 single protein format
CHEMBL212860 OBDepict OH O O O Cl Cl Ki = 3.0 nM 417.29 O=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869162 single protein format
CHEMBL437489 OBDepict CH 3 O O OH O O Cl Cl Ki = 9.0 nM 447.31 COC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869162 single protein format
CHEMBL3923099 OBDepict O HN S O HO S N CH 3 N IC50 = 16.0 nM 455.61 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3914116 OBDepict O N H S O HO S N H 3 C N IC50 = 22.0 nM 415.54 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3920801 OBDepict OH O N H O S H 3 C S N H 3 C N IC50 = 22.0 nM 429.57 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3896829 OBDepict O N H S O HO H 3 C O N N F F F IC50 = 30.0 nM 427.4 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C(F)(F)F)no2)c1C1CC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3918729 OBDepict O N H S O HO O N H 3 C N IC50 = 30.0 nM 399.47 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3957282 OBDepict CH 3 N N S NH S CH 3 O O OH IC50 = 30.0 nM 389.5 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3896498 OBDepict O N H S O HO H 3 C O N N IC50 = 30.0 nM 399.47 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C1CC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3919426 OBDepict HO O N H O S CH 3 O N H 3 C N IC50 = 30.0 nM 373.43 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3986878 OBDepict H 3 C N N S N H S H 3 C H 3 C O O HO IC50 = 31.0 nM 377.49 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3938613 OBDepict CH 3 N N S N H S CH 3 O O OH IC50 = 31.0 nM 429.57 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL378857 OBDepict Cl O O OH H O OH Cl Ki = 33.0 nM 433.29 O=C(O)[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869162 single protein format
CHEMBL3915309 OBDepict HO O N H O S CH 3 S N H 3 C N IC50 = 38.0 nM 389.5 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3903803 OBDepict O N H S O HO O N N IC50 = 38.8 nM 385.45 O=C(O)C1=C(C(=O)Nc2scc(C3CC3)c2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3929717 OBDepict CH 3 N N S NH S CH 3 O O OH IC50 = 39.0 nM 403.53 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3967672 OBDepict O N H S O HO H 3 C O N N IC50 = 40.0 nM 439.54 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)no2)c1C1CC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3920664 OBDepict O N H S O HO S N H 3 C N IC50 = 40.0 nM 429.57 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCCC2)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3897486 OBDepict O N H S O HO O N N F F F IC50 = 40.9 nM 413.38 O=C(O)C1=C(C(=O)Nc2scc(C(F)(F)F)c2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3950827 OBDepict H 3 C N N S N H S H 3 C CH 3 O O HO IC50 = 41.0 nM 363.46 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3890665 OBDepict O HN S O HO O N CH 3 N IC50 = 50.0 nM 439.54 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3891355 OBDepict OH O N H O S H 3 C O N H 3 C N IC50 = 50.0 nM 413.5 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3914622 OBDepict O N H S O HO CH 3 O N N F F F IC50 = 60.0 nM 427.4 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C(F)(F)F Homo sapiens CHEMBL3888564 single protein format
CHEMBL3913234 OBDepict O NH S O HO H 3 C O N N F F F IC50 = 60.0 nM 467.47 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C(F)(F)F)no2)c1C1CC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3933786 OBDepict O NH S O OH O N CH 3 N O IC50 = 60.0 nM 415.47 Cc1c(C2COC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3952008 OBDepict HO O N H O S CH 3 S N H 3 C N IC50 = 61.0 nM 403.53 Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3943278 OBDepict CH 3 N N S N H S CH 3 H 3 C O O OH IC50 = 66.0 nM 403.53 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3959018 OBDepict Cl N N N N N H N Ki = 86.0 nM 390.88 Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Homo sapiens CHEMBL3861356 assay format
CHEMBL3979971 OBDepict HO O N H O S CH 3 O N H 3 C N IC50 = 90.0 nM 387.46 Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3964149 OBDepict O N H S O HO H 3 C O N N IC50 = 98.6 nM 359.41 Cc1csc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 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 CHEMBL3861356 assay format
CHEMBL3975095 OBDepict H 3 C N N O N H S H 3 C O O HO IC50 = 120.0 nM 373.43 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3971182 OBDepict Cl Cl N N O HO Ki = 120.0 nM 401.29 O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1 Homo sapiens CHEMBL3861356 assay format
CHEMBL3981828 OBDepict O N H S O HO O N N IC50 = 125.8 nM 385.45 O=C(O)C1=C(C(=O)Nc2sc(C3CC3)cc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3899095 OBDepict CH 3 O O S CH 3 HN O N O N O OH IC50 = 130.0 nM 431.47 CCOC(=O)c1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL3970105 OBDepict Cl N N O N N S H Ki = 133.0 nM 422.94 S=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1 Homo sapiens CHEMBL3861356 assay format
CHEMBL3889982 OBDepict Cl N N O N N O H Ki = 167.0 nM 406.87 O=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1 Homo sapiens CHEMBL3861356 assay format
CHEMBL4288603 OBDepict O O H H H H H H O HO Ki = 180.0 nM 454.57 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)O[C@@H]2CCCC[C@H]2c2ccccc2)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL3973942 OBDepict O N H S O HO O N N F F F IC50 = 189.0 nM 427.4 O=C(O)C1=C(C(=O)Nc2sc(CC(F)(F)F)cc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL4277947 OBDepict O O H H H H H H O HO Ki = 200.0 nM 454.57 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)O[C@H]2CCCC[C@@H]2c2ccccc2)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL3890150 OBDepict O N H S O OH O N CH 3 N O IC50 = 227.0 nM 429.5 Cc1c(C2COC2)sc(NC(=O)C2=C(C(=O)O)CCCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL394440 OBDepict CH 3 N N O OH Ki = 240.0 nM 444.53 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)O)c1 Homo sapiens CHEMBL887936 single protein format
CHEMBL8659 OBDepict CH 3 O OH Ki = 248.0 nM 282.47 CCCCCCCC/C=CCCCCCCCC(=O)O Homo sapiens CHEMBL887936 single protein format
CHEMBL247529 OBDepict H 3 C O O O HO Ki = 290.0 nM 474.56 CCc1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)oc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887936 single protein format
CHEMBL3927654 OBDepict H 3 C N N O N H S H 3 C O O HO IC50 = 300.0 nM 387.46 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3903176 OBDepict H 3 C N N O N H S H 3 C O O OH IC50 = 320.0 nM 413.5 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL3962973 OBDepict O N H S O HO O N H 3 C N N N S N H 3 C CH 3 IC50 = 330.0 nM 486.58 Cc1c(-c2nsc(N(C)C)n2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL247920 OBDepict CH 3 N N O O OH Ki = 350.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL887936 single protein format
CHEMBL3928329 OBDepict CH 3 S N H O N O N O HO IC50 = 380.0 nM 359.41 Cc1cc(-c2nc(C3CC3)no2)c(NC(=O)C2=C(C(=O)O)CCC2)s1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL4644782 OBDepict Cl NH O O OH Ki = 430.0 nM 363.8 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1 Homo sapiens CHEMBL4605259 assay format
CHEMBL4640209 OBDepict Cl NH N N O OH H Ki = 490.0 nM 363.8 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1 Homo sapiens CHEMBL4605259 assay format
CHEMBL3941588 OBDepict Cl N N O HO Ki = 500.0 nM 366.85 O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 Homo sapiens CHEMBL3861356 assay format
CHEMBL4287414 OBDepict CH 3 O H H H O O H O HO O CH 3 Ki = 550.0 nM 482.53 COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)Oc1cccc2ccccc12 Homo sapiens CHEMBL4271807 assay format
CHEMBL248120 OBDepict CH 3 N N OH O HO Ki = 550.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(O)C(=O)O)c1 Homo sapiens CHEMBL887936 single protein format
CHEMBL4643718 OBDepict Cl NH N N O O OH Ki = 600.0 nM 365.78 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1 Homo sapiens CHEMBL4605259 assay format
CHEMBL4642358 OBDepict Cl HN O HO Ki = 600.0 nM 373.84 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Homo sapiens CHEMBL4605259 assay format
CHEMBL4284051 OBDepict CH 3 O H H H O O H O HO H O H CH 3 Ki = 680.0 nM 514.62 COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL4289745 OBDepict O O H H H H O HO Ki = 710.0 nM 422.48 O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc23)[C@@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL3919746 OBDepict HO O O N H O S CH 3 O N H 3 C N IC50 = 760.0 nM 389.43 Cc1sc(NC(=O)C2=C(C(=O)O)COCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL4287117 OBDepict O O H H H H O HO Ki = 770.0 nM 448.52 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2ccccc2-c2ccccc2)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL4281879 OBDepict O O H H H H O HO Ki = 790.0 nM 422.48 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc23)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL4293939 OBDepict O O H H H H Cl O OH Cl Cl Ki = 800.0 nM 475.75 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cc(Cl)c(Cl)cc2Cl)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL82293 OBDepict CH 3 O OH Ki = 802.0 nM 256.43 CCCCCCCCCCCCCCCC(=O)O Homo sapiens CHEMBL887936 single protein format
CHEMBL4292072 OBDepict O O O HO Ki = 810.0 nM 422.48 O=C(O)C1C(c2ccccc2)C(C(=O)Oc2cccc3ccccc23)C1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL4632369 OBDepict Cl HN O O OH Ki = 820.0 nM 365.82 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2c(c1)CCO2 Homo sapiens CHEMBL4605259 assay format
CHEMBL3986323 OBDepict O N H S O OH CH 3 O N H 3 C N IC50 = 822.0 nM 389.48 Cc1sc(NC(=O)C2CCCCC2C(=O)O)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888564 single protein format
CHEMBL396698 OBDepict HO O O N N CH 3 Ki = 830.0 nM 460.53 Cn1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887936 single protein format
CHEMBL245284 OBDepict H 3 C N N O O HO Ki = 830.0 nM 474.56 CCn1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887936 single protein format
CHEMBL4295043 OBDepict O O H H H H O OH Ki = 850.0 nM 448.52 O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc(-c3ccccc3)c2)[C@H]1c1ccccc1 Homo sapiens CHEMBL4271807 assay format
CHEMBL4632412 OBDepict Cl NH O OH Ki = 880.0 nM 323.78 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1 Homo sapiens CHEMBL4605259 assay format
CHEMBL4292323 OBDepict Cl H H H O O H O HO Cl Ki = 890.0 nM 543.45 O=C(O)[C@H]1[C@H](c2ccccc2Cl)[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1c1ccccc1Cl Homo sapiens CHEMBL4271807 assay format
CHEMBL4291624 OBDepict CH O O H H H H O OH Ki = 890.0 nM 396.44 C#Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccccc3)[C@H](C(=O)O)[C@@H]2c2ccccc2)c1 Homo sapiens CHEMBL4271807 assay format
CHEMBL3905766 OBDepict O N H S O HO O N N IC50 = 890.0 nM 345.38 O=C(O)C1=C(C(=O)Nc2sccc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888564 single protein format
CHEMBL4278244 OBDepict CH 3 HN O O O H H H H O HO Ki = 970.0 nM 479.53 CC(=O)Nc1ccc2c(OC(=O)[C@H]3[C@@H](c4ccccc4)[C@H](C(=O)O)[C@@H]3c3ccccc3)cccc2c1 Homo sapiens CHEMBL4271807 assay format