HOME LIGAND hPROTEOME OTHERS DOCUMENT

P15090 | FABP4_HUMAN | "Fatty acid-binding protein, adipocyte" (FABP4)

3D structures mapped by conservation among orthologs

[ Domain: "Lipocalins" // Lipocalin_7 ]

download pymol session



[ 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
CHEMBL1782969 OBDepict Cl N N S O H 3 C CH 3 O HO Ki < 1.0 nM 515.03 CC(C)(Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)O Homo sapiens CHEMBL1785600 single protein format
CHEMBL1782967 OBDepict Cl N N S O H 3 C O HO Ki < 1.0 nM 501.01 CC(Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)O Homo sapiens CHEMBL1785600 single protein format
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 CHEMBL869163 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 CHEMBL887934 single protein format
CHEMBL378857 OBDepict Cl O O OH H O OH Cl Ki = 2.5 nM 433.29 O=C(O)[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869163 single protein format
CHEMBL245282 OBDepict HO O N H N N CH 3 Ki = 2.7 nM 459.55 Cn1c(-c2ccccc2-c2cccc(NCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887934 single protein format
CHEMBL245284 OBDepict H 3 C N N O O HO Ki = 3.3 nM 474.56 CCn1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887937 single protein format
CHEMBL245653 OBDepict H 3 C N N NH O HO Ki = 3.4 nM 473.58 CCn1c(-c2ccccc2-c2cccc(NCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887934 single protein format
CHEMBL247529 OBDepict H 3 C O O O HO Ki = 3.5 nM 474.56 CCc1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)oc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887934 single protein format
CHEMBL1782966 OBDepict HO O O N N S Cl Ki = 5.0 nM 486.98 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1 Homo sapiens CHEMBL1785600 single protein format
CHEMBL126078 OBDepict OH O O N O Ki = 6.0 nM 447.49 O=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL1782968 OBDepict CH 3 O O OH N N S Cl Ki = 6.0 nM 515.03 CCC(Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)O Homo sapiens CHEMBL1785600 single protein format
CHEMBL1782965 OBDepict HO O O N N O Cl Ki = 7.0 nM 470.91 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c1 Homo sapiens CHEMBL1785600 single protein format
CHEMBL3970105 OBDepict Cl N N O N N S H Ki = 7.0 nM 422.94 S=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1 Homo sapiens CHEMBL3861355 assay format
CHEMBL247920 OBDepict CH 3 N N O O OH Ki = 7.4 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL887937 single protein format
CHEMBL397385 OBDepict F N N O O OH Ki = 8.7 nM 492.55 O=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCF)c1 Homo sapiens CHEMBL887937 single protein format
CHEMBL248144 OBDepict OH O O N N H Ki = 9.3 nM 446.51 O=C(O)COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL3919426 OBDepict HO O N H O S CH 3 O N H 3 C N IC50 = 10.0 nM 373.43 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL3918729 OBDepict O N H S O HO O N H 3 C N IC50 = 10.0 nM 399.47 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3896829 OBDepict O N H S O HO H 3 C O N N F F F IC50 = 10.0 nM 427.4 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C(F)(F)F)no2)c1C1CC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3905766 OBDepict O N H S O HO O N N IC50 = 10.0 nM 345.38 O=C(O)C1=C(C(=O)Nc2sccc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3959018 OBDepict Cl N N N N N H N Ki = 11.0 nM 390.88 Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Homo sapiens CHEMBL3861355 assay format
CHEMBL3915309 OBDepict HO O N H O S CH 3 S N H 3 C N IC50 = 11.0 nM 389.5 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL3947458 OBDepict Cl N O OH H 3 C CH 3 Ki = 12.0 nM 325.8 CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O Homo sapiens CHEMBL3861355 assay format
CHEMBL394966 OBDepict OH O O N H Ki = 12.0 nM 445.52 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL396698 OBDepict HO O O N N CH 3 Ki = 13.0 nM 460.53 Cn1c(-c2ccccc2-c2cccc(OCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887937 single protein format
CHEMBL1782964 OBDepict OH O O N N Cl Ki = 13.0 nM 480.95 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 Homo sapiens CHEMBL1785600 single protein format
CHEMBL3950316 OBDepict Cl CH 3 N N O OH Ki = 13.0 nM 380.88 Cc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12 Homo sapiens CHEMBL3861355 assay format
CHEMBL3923099 OBDepict O HN S O HO S N CH 3 N IC50 = 13.0 nM 455.61 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3914116 OBDepict O N H S O HO S N H 3 C N IC50 = 13.0 nM 415.54 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3964149 OBDepict O N H S O HO H 3 C O N N IC50 = 15.0 nM 359.41 Cc1csc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3971182 OBDepict Cl Cl N N O HO Ki = 16.0 nM 401.29 O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1 Homo sapiens CHEMBL3861355 assay format
CHEMBL3979347 OBDepict Cl N N O OH H 3 C CH 3 H 3 C CH 3 Ki = 16.0 nM 368.86 CC(C)c1cccc(-c2c(C(=O)O)c(N(C)C)nc3ccc(Cl)cc23)c1 Homo sapiens CHEMBL3861355 assay format
CHEMBL212860 OBDepict OH O O O Cl Cl Ki = 16.0 nM 417.29 O=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869163 single protein format
CHEMBL248145 OBDepict OH O HN N N H Ki = 18.0 nM 445.52 O=C(O)CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL3920664 OBDepict O N H S O HO S N H 3 C N IC50 = 19.0 nM 429.57 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCCC2)c1-c1nc(C2CC2)ns1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3903803 OBDepict O N H S O HO O N N IC50 = 19.2 nM 385.45 O=C(O)C1=C(C(=O)Nc2scc(C3CC3)c2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3967672 OBDepict O N H S O HO H 3 C O N N IC50 = 20.0 nM 439.54 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)no2)c1C1CC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3896498 OBDepict O N H S O HO H 3 C O N N IC50 = 20.0 nM 399.47 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C1CC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3979971 OBDepict HO O N H O S CH 3 O N H 3 C N IC50 = 20.0 nM 387.46 Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL3914622 OBDepict O N H S O HO CH 3 O N N F F F IC50 = 20.0 nM 427.4 Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C(F)(F)F Homo sapiens CHEMBL3888563 single protein format
CHEMBL3928329 OBDepict CH 3 S N H O N O N O HO IC50 = 20.0 nM 359.41 Cc1cc(-c2nc(C3CC3)no2)c(NC(=O)C2=C(C(=O)O)CCC2)s1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3889982 OBDepict Cl N N O N N O H Ki = 20.0 nM 406.87 O=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1 Homo sapiens CHEMBL3861355 assay format
CHEMBL3897486 OBDepict O N H S O HO O N N F F F IC50 = 20.5 nM 413.38 O=C(O)C1=C(C(=O)Nc2scc(C(F)(F)F)c2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3957282 OBDepict CH 3 N N S NH S CH 3 O O OH IC50 = 22.0 nM 389.5 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3941588 OBDepict Cl N N O HO Ki = 22.0 nM 366.85 O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 Homo sapiens CHEMBL3861355 assay format
CHEMBL3986878 OBDepict H 3 C N N S N H S H 3 C H 3 C O O HO IC50 = 23.0 nM 377.49 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3950827 OBDepict H 3 C N N S N H S H 3 C CH 3 O O HO IC50 = 25.0 nM 363.46 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3920801 OBDepict OH O N H O S H 3 C S N H 3 C N IC50 = 27.0 nM 429.57 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL248120 OBDepict CH 3 N N OH O HO Ki = 28.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(O)C(=O)O)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL3938613 OBDepict CH 3 N N S N H S CH 3 O O OH IC50 = 29.0 nM 429.57 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3913234 OBDepict O NH S O HO H 3 C O N N F F F IC50 = 30.0 nM 467.47 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C(F)(F)F)no2)c1C1CC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3814634 OBDepict HO O N O H 3 C N CH 3 N H H 3 C CH 3 Ki = 30.0 nM 457.57 Cc1n[nH]c(C)c1-c1c(-c2cccc(OC(C)C)c2)n(CCC(=O)O)c2ccc(C3CC3)cc12 Homo sapiens CHEMBL3816121 assay format
CHEMBL3929717 OBDepict CH 3 N N S NH S CH 3 O O OH IC50 = 31.0 nM 403.53 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C3CC3)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL1782963 OBDepict OH O O N N Ki = 32.0 nM 446.51 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1 Homo sapiens CHEMBL1785600 single protein format
CHEMBL246902 OBDepict OH O O O Ki = 36.0 nM 446.5 O=C(O)COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1 Homo sapiens CHEMBL887934 single protein format
CHEMBL3891355 OBDepict OH O N H O S H 3 C O N H 3 C N IC50 = 40.0 nM 413.5 Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL3981828 OBDepict O N H S O HO O N N IC50 = 40.8 nM 385.45 O=C(O)C1=C(C(=O)Nc2sc(C3CC3)cc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3943278 OBDepict CH 3 N N S N H S CH 3 H 3 C O O OH IC50 = 44.0 nM 403.53 Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3953175 OBDepict O HN HN O OH Cl Cl IC50 = 50.0 nM 393.27 O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CCCC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL437489 OBDepict CH 3 O O OH O O Cl Cl Ki = 50.0 nM 447.31 COC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Homo sapiens CHEMBL869163 single protein format
CHEMBL116533 OBDepict HO O O N O Ki = 58.0 nM 413.47 O=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 Homo sapiens CHEMBL887934 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 = 58.1 nM 486.58 Cc1c(-c2nsc(N(C)C)n2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3969505 OBDepict O N H NH O OH Cl F IC50 = 60.0 nM 348.76 O=C(Nc1cc(Cl)c(F)cc1-c1ccccc1)NC1(C(=O)O)CC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL3975095 OBDepict H 3 C N N O N H S H 3 C O O HO IC50 = 70.0 nM 373.43 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3916530 OBDepict O N H N H O OH Cl Cl IC50 = 80.0 nM 365.22 O=C(Nc1cc(Cl)cc(Cl)c1-c1ccccc1)NC1(C(=O)O)CC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL3952008 OBDepict HO O N H O S CH 3 S N H 3 C N IC50 = 85.0 nM 403.53 Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)ns2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL3933786 OBDepict O NH S O OH O N CH 3 N O IC50 = 90.0 nM 415.47 Cc1c(C2COC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL474944 OBDepict NH 2 O N O HO IC50 = 98.0 nM 362.43 NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)O)c31)CCCCC2 Homo sapiens CHEMBL964127 single protein format
CHEMBL3944468 OBDepict O NH NH O OH Cl F IC50 = 100.0 nM 376.82 O=C(Nc1cc(Cl)c(F)cc1-c1ccccc1)NC1(C(=O)O)CCCC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL3813892 OBDepict H 3 C O N N O OH Ki = 100.0 nM 412.49 COc1cnccc1-c1c(-c2ccccc2)n(CCC(=O)O)c2ccc(C3CC3)cc12 Homo sapiens CHEMBL3816121 assay format
CHEMBL3890150 OBDepict O N H S O OH O N CH 3 N O IC50 = 105.0 nM 429.5 Cc1c(C2COC2)sc(NC(=O)C2=C(C(=O)O)CCCC2)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL1738980 OBDepict Cl N CH 3 O OH Ki = 105.0 nM 297.74 Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O Homo sapiens CHEMBL3861355 assay format
CHEMBL3919746 OBDepict HO O O N H O S CH 3 O N H 3 C N IC50 = 107.0 nM 389.43 Cc1sc(NC(=O)C2=C(C(=O)O)COCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL4641484 OBDepict OH O NH Ki = 109.3 nM 289.33 O=C(O)c1ccccc1Nc1ccccc1-c1ccccc1 Homo sapiens CHEMBL4605256 assay format
CHEMBL3814575 OBDepict OH O N Ki = 120.0 nM 381.47 O=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C3CC3)ccc21 Homo sapiens CHEMBL3816121 assay format
CHEMBL245857 OBDepict OH O N H N N H 3 C H 3 C Ki = 130.0 nM 501.63 CC(C)Cn1c(-c2ccccc2-c2cccc(NCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL887934 single protein format
CHEMBL3903176 OBDepict H 3 C N N O N H S H 3 C O O OH IC50 = 140.0 nM 413.5 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3967738 OBDepict O N H NH O OH Cl IC50 = 140.0 nM 330.77 O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL3930938 OBDepict O NH NH O OH Cl F IC50 = 140.0 nM 376.82 O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CCCC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL4642358 OBDepict Cl HN O HO Ki = 149.7 nM 373.84 O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Homo sapiens CHEMBL4605256 assay format
CHEMBL3958926 OBDepict O NH NH O OH Cl IC50 = 150.0 nM 358.83 O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL4646688 OBDepict HO O HN F F F Ki = 164.1 nM 357.33 O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1-c1ccccc1 Homo sapiens CHEMBL4605256 assay format
CHEMBL4639338 OBDepict CH 3 NH O OH Ki = 182.4 nM 303.36 Cc1cccc(Nc2ccccc2C(=O)O)c1-c1ccccc1 Homo sapiens CHEMBL4605256 assay format
CHEMBL8659 OBDepict CH 3 O OH Ki = 185.0 nM 282.47 CCCCCCCC/C=CCCCCCCCC(=O)O Homo sapiens CHEMBL887934 single protein format
CHEMBL3972884 OBDepict O N H S O HO IC50 = 200.0 nM 313.38 O=C(O)C1=C(C(=O)Nc2sccc2-c2ccccc2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL4295114 OBDepict CH 3 O S NH O O F O OH Ki = 200.0 nM 375.38 COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12 Homo sapiens CHEMBL4271662 single protein format
CHEMBL3890665 OBDepict O HN S O HO O N CH 3 N IC50 = 210.0 nM 439.54 Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c1-c1nc(C2CC2)no1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL4283424 OBDepict CH 3 O S NH O O F O HO Ki = 210.0 nM 375.38 COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12 Homo sapiens CHEMBL4271662 single protein format
CHEMBL4113722 OBDepict O N N H H S O HO CH 3 O N CH 3 N F F F IC50 = 217.0 nM 404.37 Cc1sc(NC(=O)N2CCC[C@@H]2C(=O)O)c(-c2nc(C(F)(F)F)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL247920 OBDepict CH 3 N N O O OH IC50 = 221.0 nM 474.56 CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL2339128 single protein format
CHEMBL4280127 OBDepict CH 3 O S NH O O F O OH F Ki = 230.0 nM 393.37 COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)c2ccccc12 Homo sapiens CHEMBL4271662 single protein format
CHEMBL3973942 OBDepict O N H S O HO O N N F F F IC50 = 247.6 nM 427.4 O=C(O)C1=C(C(=O)Nc2sc(CC(F)(F)F)cc2-c2nc(C3CC3)no2)CCC1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3899095 OBDepict CH 3 O O S CH 3 HN O N O N O OH IC50 = 250.0 nM 431.47 CCOC(=O)c1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format
CHEMBL4639506 OBDepict Br NH O OH Ki = 262.9 nM 368.23 O=C(O)c1ccccc1Nc1cccc(Br)c1-c1ccccc1 Homo sapiens CHEMBL4605256 assay format
CHEMBL3980900 OBDepict O N H N H O OH Cl F IC50 = 290.0 nM 348.76 O=C(Nc1ccc(Cl)cc1-c1ccc(F)cc1)NC1(C(=O)O)CC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL3927654 OBDepict H 3 C N N O N H S H 3 C O O HO IC50 = 310.0 nM 387.46 Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C2CC2)n1 Homo sapiens CHEMBL3888563 single protein format
CHEMBL3958454 OBDepict O HN HN O OH Cl F IC50 = 330.0 nM 348.76 O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CC1 Homo sapiens CHEMBL3888115 single protein format
CHEMBL82293 OBDepict CH 3 O OH Ki = 336.0 nM 256.43 CCCCCCCCCCCCCCCC(=O)O Homo sapiens CHEMBL887934 single protein format
CHEMBL3986323 OBDepict O N H S O OH CH 3 O N H 3 C N IC50 = 345.0 nM 389.48 Cc1sc(NC(=O)C2CCCCC2C(=O)O)c(-c2nc(C3CC3)no2)c1C Homo sapiens CHEMBL3888563 single protein format