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P14174 | MIF_HUMAN | Macrophage migration inhibitory factor (MIF)

3D structures mapped by conservation among orthologs

[ Domain: "Tautomerase/MIF" // MIF ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL1256233 OBDepict CH 3 O N O HO IC50 = 7.5 nM 255.27 Cc1ccc2c(c1)oc(=O)n2Cc1cccc(O)c1 Homo sapiens CHEMBL1259538 single protein format
CHEMBL1255975 OBDepict HO N O O CH 3 IC50 = 10.0 nM 255.27 Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1 Homo sapiens CHEMBL1259538 single protein format
CHEMBL3917143 OBDepict OH O O N N N N F HO Ki = 14.0 nM 442.41 O=C(O)c1cccc(Oc2cccc3nc(-c4cn(-c5ccc(O)c(F)c5)nn4)ccc23)c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL3918231 OBDepict CH 3 O O O N N N N F HO Ki = 24.0 nM 472.48 COCCOc1cccc(Oc2cccc3nc(-c4cn(-c5ccc(O)c(F)c5)nn4)ccc23)c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL3890541 OBDepict OH O O O N N N N F HO Ki = 37.0 nM 424.39 O=C(O)COCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL13486 OBDepict OH O O OH HO IC50 = 38.0 nM 270.24 O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12 Homo sapiens CHEMBL3804641 assay format
CHEMBL1089054 OBDepict OH OH O O IC50 = 38.0 nM 254.24 O=c1c(-c2ccc(O)c(O)c2)coc2ccccc12 Homo sapiens CHEMBL1100106 single protein format
CHEMBL13486 OBDepict OH O O OH HO Ki = 38.0 nM 270.24 O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12 Homo sapiens CHEMBL711481 single protein format
CHEMBL3927658 OBDepict OH O O N N N N F HO Ki = 39.0 nM 408.39 O=C(O)CCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL3899123 OBDepict OH O O N N N N F HO Ki = 48.0 nM 380.34 O=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL1253380 OBDepict O O S N N IC50 = 50.0 nM 282.32 O=C(Oc1ccc(-c2ccccc2)nn1)c1cccs1 Homo sapiens CHEMBL1252123 single protein format
CHEMBL3797437 OBDepict OH O N O O F F F Ki = 52.0 nM 381.35 Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2 Homo sapiens CHEMBL3804639 assay format
CHEMBL4208079 OBDepict H N N F O O OH O N O Ki = 67.0 nM 517.56 O=C(O)c1cc(-c2c[nH]nc2F)ccc1Oc1cccc(-c2ccc(OCCCN3CCOCC3)cc2)c1 Homo sapiens CHEMBL4199314 assay format
CHEMBL4779696 OBDepict HO O O O OH Ki = 71.0 nM 358.35 O=C(O)c1ccc(-c2ccc(-c3cc4ccc(O)cc4oc3=O)cc2)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL3957289 OBDepict OH F N N N N O O N O Ki = 74.0 nM 479.51 Oc1ccc(-n2cc(-c3ccc4cc(OCCOCCN5CCOCC5)ccc4n3)nn2)cc1F Homo sapiens CHEMBL3871206 assay format
CHEMBL4160035 OBDepict OH F N N N N O N H 3 C Ki = 75.0 nM 337.31 Cn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O Homo sapiens CHEMBL4136666 assay format
CHEMBL1253382 OBDepict CH 3 O S O N O IC50 = 80.0 nM 251.31 CCCCOC(=O)Sc1nc2ccccc2o1 Homo sapiens CHEMBL1252123 single protein format
CHEMBL4170679 OBDepict OH O N O N N N N F HO Ki = 90.0 nM 381.32 O=C(O)Cn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O Homo sapiens CHEMBL4136666 assay format
CHEMBL4094592 OBDepict HO N S O CH 3 Ki = 100.0 nM 271.34 Cc1ccc2oc(=S)n(Cc3cccc(O)c3)c2c1 Homo sapiens CHEMBL4059415 single protein format
CHEMBL4794376 OBDepict H 3 C O O N CH 3 O O OH Ki = 100.0 nM 301.3 COc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1OC Homo sapiens CHEMBL4702212 assay format
CHEMBL3797982 OBDepict OH OH N N IC50 = 110.0 nM 226.24 Oc1ccc(-c2cnc3ccccn23)cc1O Homo sapiens CHEMBL3804644 single protein format
CHEMBL223198 OBDepict CH 3 O N H N F HO IC50 = 130.0 nM 260.27 COc1ccc(N/N=C/c2ccc(O)c(F)c2)cc1 Homo sapiens CHEMBL918061 single protein format
CHEMBL3960793 OBDepict OH O F F F NH 2 O O N N N N F HO Ki = 144.0 nM 523.44 NCCOCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3871206 assay format
CHEMBL3906441 OBDepict CH 3 O O O N N N N HO Ki = 147.0 nM 406.44 COCCOCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL3924400 OBDepict OH O O N N N N OH Ki = 200.0 nM 362.35 O=C(O)COc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL223319 OBDepict CH 3 O N H N Cl HO IC50 = 220.0 nM 276.72 COc1ccc(N/N=C/c2ccc(O)c(Cl)c2)cc1 Homo sapiens CHEMBL918061 single protein format
CHEMBL3953102 OBDepict OH N N N N Ki = 230.0 nM 288.31 Oc1ccc(-n2cc(-c3ccc4ccccc4n3)nn2)cc1 Homo sapiens CHEMBL3871206 assay format
CHEMBL233248 OBDepict CH 2 N S IC50 = 250.0 nM 99.16 C=CCN=C=S Homo sapiens CHEMBL3411011 cell-based format
CHEMBL3897449 OBDepict OH O F F F NH 2 O N N N N HO Ki = 260.0 nM 461.4 NCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3871206 assay format
CHEMBL3943378 OBDepict OH N N N N O O Ki = 270.0 nM 402.45 Oc1ccc(-n2cc(-c3ccc4cc(OCC5CCCCO5)ccc4n3)nn2)cc1 Homo sapiens CHEMBL3871206 assay format
CHEMBL153074 OBDepict OH O O S N O O Ki = 280.0 nM 389.39 O=c1oc2ccccc2cc1-c1csc(-c2cc3ccc(O)cc3oc2=O)n1 Homo sapiens CHEMBL711481 single protein format
CHEMBL1253381 OBDepict S N H N H N S N IC50 = 300.0 nM 236.32 S=C(Nc1ccccc1)Nc1nncs1 Homo sapiens CHEMBL1252123 single protein format
CHEMBL4081183 OBDepict F OH N S O F F F Ki = 300.0 nM 343.3 Oc1cc(Cn2c(=S)oc3ccc(C(F)(F)F)cc32)ccc1F Homo sapiens CHEMBL4059415 single protein format
CHEMBL4761710 OBDepict Br O O OH Ki = 310.0 nM 317.14 O=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL223266 OBDepict CH 3 O N H N Br HO IC50 = 330.0 nM 321.17 COc1ccc(N/N=C/c2ccc(O)c(Br)c2)cc1 Homo sapiens CHEMBL918061 single protein format
CHEMBL1604170 OBDepict S NH N H O O OH Ki = 348.0 nM 376.44 O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 Homo sapiens CHEMBL3270119 assay format
CHEMBL3797437 OBDepict OH O N O O F F F IC50 = 360.0 nM 381.35 Oc1cc2c(cc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1)OCO2 Homo sapiens CHEMBL3804643 single protein format
CHEMBL3915405 OBDepict OH O F F F NH 2 O O N N N N HO Ki = 360.0 nM 505.45 NCCOCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3871206 assay format
CHEMBL4169208 OBDepict OH N N N N O N H 3 C Ki = 363.0 nM 319.32 Cn1ccc2ccc(-c3cn(-c4ccc(O)cc4)nn3)nc2c1=O Homo sapiens CHEMBL4136666 assay format
CHEMBL4203719 OBDepict S HN N H O HO IC50 = 370.0 nM 348.43 O=C(NC(=S)Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL4199313 single protein format
CHEMBL1392132 OBDepict CH 3 O O O HO Ki = 370.0 nM 268.27 COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL199691 OBDepict OH OH S N IC50 = 400.0 nM 233.29 Oc1ccc(CSc2ccncc2)cc1O Homo sapiens CHEMBL864628 single protein format
CHEMBL3799453 OBDepict O O N N F HO IC50 = 410.0 nM 260.22 O=C(O/N=C/c1ccc(O)c(F)c1)c1cccnc1 Homo sapiens CHEMBL3804644 single protein format
CHEMBL3798384 OBDepict OH N N N N O O N O Ki = 410.0 nM 461.52 Oc1ccc(-n2cc(-c3ccc4cc(OCCOCCN5CCOCC5)ccc4n3)nn2)cc1 Homo sapiens CHEMBL3804638 assay format
CHEMBL4791357 OBDepict OH N N N N Ki = 440.0 nM 288.31 Oc1ccc(-n2cc(-c3cc4ccccc4cn3)nn2)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL4797003 OBDepict CH 3 O O HO Ki = 460.0 nM 252.27 Cc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL4761710 OBDepict Br O O OH IC50 = 470.0 nM 317.14 O=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL153505 OBDepict HO O O Ki = 470.0 nM 238.24 O=c1oc2cc(O)ccc2cc1-c1ccccc1 Homo sapiens CHEMBL711481 single protein format
CHEMBL224086 OBDepict CH 3 O N H N HO IC50 = 480.0 nM 242.28 COc1ccc(N/N=C/c2ccc(O)cc2)cc1 Homo sapiens CHEMBL918061 single protein format
CHEMBL4739944 OBDepict I O O OH Ki = 480.0 nM 364.14 O=c1oc2cc(O)ccc2cc1-c1ccc(I)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL523238 OBDepict CH 3 N O O IC50 = 500.0 nM 239.27 Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1 Homo sapiens CHEMBL1021636 single protein format
CHEMBL554271 OBDepict OH F N O N O O IC50 = 500.0 nM 354.34 O=C1c2ccccc2C(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1 Homo sapiens CHEMBL1054355 cell-based format
CHEMBL153425 OBDepict OH O O N N Ki = 500.0 nM 278.27 O=c1oc2cc(O)ccc2cc1-c1cc2ccccn2n1 Homo sapiens CHEMBL711481 single protein format
CHEMBL4218738 OBDepict H N N F O O OH Ki = 510.0 nM 348.33 O=C(O)c1cc(-c2c[nH]nc2F)ccc1Oc1ccc2ccccc2c1 Homo sapiens CHEMBL4199314 assay format
CHEMBL3925522 OBDepict OH O N N N N HO Ki = 530.0 nM 348.36 OCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 Homo sapiens CHEMBL3871206 assay format
CHEMBL55285 OBDepict S N IC50 = 540.0 nM 149.22 S=C=NCc1ccccc1 Homo sapiens CHEMBL3411011 cell-based format
CHEMBL3409226 OBDepict S N F IC50 = 540.0 nM 167.21 Fc1ccc(CN=C=S)cc1 Homo sapiens CHEMBL3411011 cell-based format
CHEMBL497598 OBDepict O O H O CH 3 CH 3 CH 3 N F HO IC50 = 550.0 nM 295.31 CC(C)(C)OC(=O)C[C@H]1CC(c2ccc(O)c(F)c2)=NO1 Homo sapiens CHEMBL1021636 single protein format
CHEMBL1604170 OBDepict S NH N H O O OH IC50 = 550.0 nM 376.44 O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 Homo sapiens CHEMBL3270118 assay format
CHEMBL209588 OBDepict O H O CH 3 CH 3 CH 3 N F HO IC50 = 550.0 nM 293.34 CC(C)(C)CC(=O)C[C@H]1CC(c2ccc(O)c(F)c2)=NO1 Homo sapiens CHEMBL865957 single protein format
CHEMBL3798149 OBDepict H 3 C O O N N N N OH Ki = 550.0 nM 362.39 COCCOc1ccc2nc(-c3cn(-c4ccc(O)cc4)nn3)ccc2c1 Homo sapiens CHEMBL3804638 assay format
CHEMBL358644 OBDepict HO O O S NH 2 Ki = 550.0 nM 221.24 NC(=S)c1cc2ccc(O)cc2oc1=O Homo sapiens CHEMBL711481 single protein format
CHEMBL1392132 OBDepict CH 3 O O O HO IC50 = 560.0 nM 268.27 COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL51085 OBDepict O N Se Ki = 570.0 nM 274.18 O=c1c2ccccc2[se]n1-c1ccccc1 Homo sapiens CHEMBL4199305 assay format
CHEMBL3739747 OBDepict Cl O O OH Ki = 610.0 nM 272.69 O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL3953102 OBDepict OH N N N N IC50 = 640.0 nM 288.31 Oc1ccc(-n2cc(-c3ccc4ccccc4n3)nn2)cc1 Homo sapiens CHEMBL4722621 assay format
CHEMBL4797003 OBDepict CH 3 O O HO IC50 = 690.0 nM 252.27 Cc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL81201 OBDepict H 3 C O N S IC50 = 700.0 nM 179.24 COc1ccc(CN=C=S)cc1 Homo sapiens CHEMBL3411010 assay format
CHEMBL4739944 OBDepict I O O OH IC50 = 720.0 nM 364.14 O=c1oc2cc(O)ccc2cc1-c1ccc(I)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL3409229 OBDepict S N S O O NH 2 IC50 = 750.0 nM 228.3 NS(=O)(=O)c1ccc(CN=C=S)cc1 Homo sapiens CHEMBL3411010 assay format
CHEMBL1289631 OBDepict CH 3 O O CH 3 N N N HO IC50 = 750.0 nM 311.34 COc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1OC Homo sapiens CHEMBL1291796 single protein format
CHEMBL211882 OBDepict O O O N H 3 C CH 3 H 3 C F HO IC50 = 750.0 nM 309.34 CC(C)(C)COC(=O)CC1CC(c2ccc(O)c(F)c2)=NO1 Homo sapiens CHEMBL865957 single protein format
CHEMBL3739747 OBDepict Cl O O OH IC50 = 920.0 nM 272.69 O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4702212 assay format
CHEMBL4741927 OBDepict Cl N H NH O N N N F HO Ki = 960.0 nM 385.79 O=C(NCc1cn(-c2ccc(O)c(F)c2)nn1)c1cc2cc(Cl)ccc2[nH]1 Homo sapiens CHEMBL4702212 assay format
CHEMBL1256370 OBDepict F N O O IC50 = 1000.0 nM 243.24 O=c1oc2ccc(F)cc2n1Cc1ccccc1 Homo sapiens CHEMBL1259538 single protein format
CHEMBL2251720 OBDepict CH 3 N S IC50 = 1000.0 nM 163.24 CC(N=C=S)c1ccccc1 Homo sapiens CHEMBL3411010 assay format
CHEMBL1807940 OBDepict Cl N S O OH IC50 = 1000.0 nM 277.73 O=c1c2ccc(O)cc2sn1-c1ccc(Cl)cc1 Homo sapiens CHEMBL1811202 single protein format
CHEMBL4060552 OBDepict CH 3 N O S Ki = 1000.0 nM 255.34 Cc1ccc2oc(=S)n(Cc3ccccc3)c2c1 Homo sapiens CHEMBL4059415 single protein format
CHEMBL4073313 OBDepict CH 3 H 3 C N O S Ki = 1000.0 nM 283.4 CC(C)c1ccc2oc(=S)n(Cc3ccccc3)c2c1 Homo sapiens CHEMBL4059415 single protein format