HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q12852 | M3K12_HUMAN | Mitogen-activated protein kinase kinase kinase 12 (MAP3K12)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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
CHEMBL3733088 OBDepict NH 2 N O CH 3 N N N H H O Ki = 0.06 nM 429.52 CC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccc1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3715238 OBDepict H 2 N N F F F N N H H H N O Ki = 0.17 nM 419.45 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1C(F)(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3716226 OBDepict N N N N CH 3 H 3 C N N H F F F Ki = 0.17 nM 416.45 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(CC#N)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3355003 OBDepict H 3 C N N N CH 3 H 3 C N N H F F F Ki = 0.17 nM 391.44 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3393337 OBDepict N N N H N O N O Ki = 0.2 nM 405.5 N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(OC3CCC3)n2)c1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3729613 OBDepict F O F H 2 N N N N N H H H N N N H 3 C Ki = 0.31 nM 480.52 Cn1ccnc1N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3355005 OBDepict H N N F F F N N H 3 C CH 3 H H H N O Ki = 0.4 nM 431.46 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3715325 OBDepict H N N F F F N N H 3 C H 3 C N O Ki = 0.48 nM 405.42 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CN(C2COC2)C1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3393333 OBDepict N N N H N N N F F O Ki < 0.5 nM 440.5 N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3730823 OBDepict CH 3 O N H H N N N N N O NH 2 F F Ki = 0.51 nM 473.53 COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731122 OBDepict F O F H 2 N N N N N N H H O CH 3 F Ki = 0.52 nM 436.44 CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732528 OBDepict H 2 N N O H 3 C N N S N N Ki = 0.56 nM 394.5 CC(Oc1cc(-c2cc(N3CCC3)nc(C3CC3)n2)cnc1N)c1nccs1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728902 OBDepict F F N H H N N N N N F F O H 2 N F F Ki = 0.574 nM 503.45 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3715788 OBDepict NH 2 N F F F N N H CH 3 H H N O Ki = 0.67 nM 433.48 CC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2[C@@H]2[C@H]3CN(C4COC4)C[C@H]32)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3393334 OBDepict N N N H N N N F F O Ki = 0.7 nM 412.44 N#Cc1ccnc(Nc2cc(C3CN(C4COC4)C3)cc(N3CCC(F)(F)C3)n2)c1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3733275 OBDepict CH 3 O N H H N N N N O H 2 N F F Ki = 0.77 nM 432.48 COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3393329 OBDepict N N N H N N O F F Ki = 0.9 nM 385.42 N#Cc1ccnc(Nc2cc(C3CCOCC3)cc(N3CCC(F)(F)C3)n2)c1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3728441 OBDepict F O F H 2 N N N N N N H F CH 3 H O Ki = 0.9 nM 436.44 CC1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732447 OBDepict F O F NH 2 N N N N N H H H O H Ki = 0.92 nM 416.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H]4C[C@H]43)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729148 OBDepict F O F H 2 N N N N N H H H N OH CH 3 H 3 C Ki = 1.0 nM 472.54 CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732912 OBDepict CH 3 O H 3 C H 3 C N O H H N N N N N O H 2 N F F Ki = 1.0 nM 515.57 COC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727397 OBDepict CH 3 O N O H H N N N N N O NH 2 F F Ki = 1.0 nM 487.51 COCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732012 OBDepict F O F H 2 N N N N N N H H O F F Ki = 1.0 nM 440.4 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732360 OBDepict F O F H 2 N N N N N N H H F H O Ki = 1.0 nM 422.41 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3730273 OBDepict F O F NH 2 N N N H H H N HO CH 3 CH 3 Ki = 1.0 nM 431.49 CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731284 OBDepict CH 3 O N H H H N N N N O NH 2 F F Ki = 1.0 nM 458.51 COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727796 OBDepict F O F H 2 N N N N N N H H O Ki = 1.0 nM 416.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3717104 OBDepict H N N F F F N N H 3 C H 3 C N Ki = 1.0 nM 431.51 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2CCC2)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3717769 OBDepict F F N H H H N N H 3 C CH 3 N H 2 N F F F Ki = 1.0 nM 415.41 CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(F)F)C[C@H]21 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3730912 OBDepict NH 2 N O F F F N N N H H H N HO H 3 C CH 3 Ki = 1.0 nM 490.53 CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727449 OBDepict NH 2 N F F F N N N H H H N HO H 3 C CH 3 Ki = 1.0 nM 474.53 CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3393340 OBDepict N N N H N N O Ki = 1.0 nM 375.48 N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(C3CC3)n2)c1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3393327 OBDepict CH 3 N O N N H N N F F F F F Ki = 1.0 nM 469.46 CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCC(F)(F)C3)c2)CC1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3731609 OBDepict F O F NH 2 N N N N H H 3 C F H N O Ki = 1.14 nM 492.55 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCCOCC4)C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728354 OBDepict F O F H 2 N N N N N H 3 C N O Ki = 1.17 nM 432.48 CC1CN(C2COC2)CCN1c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729696 OBDepict F O F H 2 N N N N N H H O Ki = 1.2 nM 403.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCCC3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3718810 OBDepict H 2 N N F F F N N H H H N O Ki = 1.2 nM 419.45 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1C(F)(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3732684 OBDepict CH 3 O N H H H N N O NH 2 F F Ki = 1.25 nM 416.47 COCCN1C[C@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)c3)[C@H]2C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3716760 OBDepict H 3 C O N CH 3 H H H N N CH 3 H 3 C N H 2 N F F F Ki = 1.3 nM 423.48 COCC(C)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C Homo sapiens CHEMBL3721107 single protein format
CHEMBL3730558 OBDepict H 3 C N S O H 3 C H 2 N N N N N Ki = 1.41 nM 408.53 Cc1csc(C(C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727385 OBDepict F O F H 2 N N N N N N H H O CH 3 F Ki = 1.47 nM 436.44 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3718522 OBDepict H 2 N N F F F N N H F F F H H N O Ki = 1.6 nM 447.38 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC(F)(F)F)n2)cc1C(F)(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3731242 OBDepict F O F NH 2 N N N N N F F O Ki = 1.65 nM 454.43 Nc1ncc(-c2cc(N3CCC4CC3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731498 OBDepict F O F H 2 N N N N N H N H O CH 3 Ki = 1.76 nM 416.43 CC(=O)N1C[C@@H]2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@@H]21 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3733255 OBDepict H 3 C O F N N N N N F O O H 2 N CH 3 F F Ki = 1.85 nM 500.5 COCC1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(COC)C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3716725 OBDepict H 3 C O N H H H N N F F F N H 2 N F F F Ki = 1.9 nM 449.4 COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC(F)(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3719135 OBDepict NH 2 N O F F F N N H 3 C CH 3 H H H N O Ki = 1.9 nM 423.44 CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3729681 OBDepict F O F NH 2 N N N N N N H H 3 C F Ki = 1.92 nM 463.51 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@H]4C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728682 OBDepict NH 2 N O CH 3 N N N N H H O Ki = 1.93 nM 430.51 CC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728287 OBDepict F O F H 2 N N N H H H N O Ki = 1.93 nM 414.46 Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)cc(C3CC3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727991 OBDepict F O F H 2 N N N N N N H H Ki = 2.0 nM 414.46 Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H]3C4)nc(N3CC4CC3C4)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3393322 OBDepict F F N N N N H N N H F F F Ki = 2.0 nM 428.41 FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCNCC3)n2)C1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3728219 OBDepict F O F H 2 N N N N N N Ki = 2.0 nM 400.43 Nc1ncc(-c2cc(N3CC4CC4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729369 OBDepict F O F NH 2 N N N N H H H N O CH 3 Ki = 2.0 nM 442.47 CC(=O)N1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CC5CC4C5)n3)[C@@H]2C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731156 OBDepict CH 3 N N N N N H O H O NH 2 F F Ki = 2.0 nM 418.45 CC1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731916 OBDepict F O F H 2 N N N N N N H H O F F Ki = 2.06 nM 454.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3733363 OBDepict F O F H 2 N N N N N N H H F H S Ki = 2.27 nM 438.48 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731405 OBDepict F O F NH 2 N N N N N O Ki = 2.3 nM 430.46 Nc1ncc(-c2cc(N3CCC4(COC4)C3)nc(N3CC4CC3C4)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3718344 OBDepict H N N F F F N N H 3 C H 3 C N O Ki = 2.3 nM 433.48 CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2COC2)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3732989 OBDepict F O F H 2 N N N N N N H H O CH 3 F Ki = 2.3 nM 436.44 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@H]4C[C@@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732975 OBDepict F F N H H N N N N N H 3 C F O NH 2 F F Ki = 2.35 nM 499.49 CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732685 OBDepict F O F NH 2 N N N N H H N H 3 C F H H O Ki = 2.35 nM 490.53 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@H](N4C[C@@H]5C[C@H]4CO5)C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3719039 OBDepict H 2 N N F F F N N H F F F H H NH Ki = 2.4 nM 391.32 Nc1ncc(-c2cc([C@@H]3[C@H]4CNC[C@H]43)n(CC(F)(F)F)n2)cc1C(F)(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3732366 OBDepict F O F NH 2 N N N N H H N H 3 C F O Ki = 2.59 nM 478.52 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc([C@H]3C[C@@H](N4CCOCC4)C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3730695 OBDepict F O F H 2 N N N N N N H H O F CH 3 F Ki = 2.62 nM 454.43 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4OC[C@H]3C4F)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732536 OBDepict F O F H 2 N N N N N N H H H 3 C H O Ki = 2.62 nM 418.45 C[C@@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731453 OBDepict H 3 C O CH 3 N N N N N O H 2 N F F Ki = 2.67 nM 432.48 CCOC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3717481 OBDepict NH 2 N F F F N N H 3 C CH 3 H H H N O Ki = 2.7 nM 407.44 CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3728098 OBDepict F O F H 2 N N N N N N H F CH 3 H O Ki = 2.84 nM 434.42 CC1=C(F)CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731696 OBDepict CH 3 O F N N N N H N H O O H 2 N F F Ki = 2.92 nM 466.46 COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728798 OBDepict F O F H 2 N N N N N N H H F H O Ki = 2.96 nM 422.41 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729389 OBDepict F O F H 2 N N N N N N H CH 3 F F H O Ki = 2.96 nM 454.43 CC1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727942 OBDepict F O F H 2 N N N N N N O H F H F Ki = 2.99 nM 428.39 Nc1ncc(-c2cc(N3CCOCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731011 OBDepict F O F NH 2 N N N N H H H N O Ki = 3.0 nM 456.5 Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727692 OBDepict H 3 C O N H H H N N N O NH 2 F F Ki = 3.0 nM 417.46 COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL4129958 OBDepict H 3 C N N H H H N N H 2 N F F F O Ki = 3.0 nM 393.41 CCn1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 Homo sapiens CHEMBL4119867 cell-based format
CHEMBL4125721 OBDepict H 2 N N O F F F N N H H H N O Ki = 3.0 nM 435.45 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1OC(F)(F)F Homo sapiens CHEMBL4119867 cell-based format
CHEMBL4128619 OBDepict H 3 C CH 3 N N H H H N N H 2 N F F F O Ki = 3.0 nM 421.47 CC(C)Cn1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 Homo sapiens CHEMBL4119867 cell-based format
CHEMBL3727797 OBDepict F O F NH 2 N N N N N H H O Ki = 3.0 nM 416.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC4C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3730790 OBDepict F O F NH 2 N N N N H H S Ki = 3.1 nM 391.45 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CC3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732088 OBDepict F O F NH 2 N N N N N N F F O CH 3 CH 3 Ki = 3.2 nM 511.52 CC1(C)CN(C2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CCC(F)(F)C4)n3)C2)CCO1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3730236 OBDepict F O F H 2 N N N N N N H H O Ki = 3.22 nM 404.42 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732864 OBDepict F O F H 2 N N N N N N N F F O Ki = 3.24 nM 495.48 Nc1ncc(-c2cc(N3CC(N4CCCCC4=O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3728997 OBDepict F O F NH 2 N N N N N O F F Ki = 3.34 nM 440.4 Nc1ncc(-c2cc(N3CC4CC(C3)O4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732383 OBDepict F O F H 2 N N N N N N H H S CH 3 F O O Ki = 3.34 nM 484.5 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CS4(=O)=O)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3731551 OBDepict F O F H 2 N N N N N N H H F H O Ki = 3.55 nM 422.41 Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729943 OBDepict F O F NH 2 N N N N N F F O Ki = 3.57 nM 496.51 Nc1ncc(-c2cc(C3CCC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3733341 OBDepict CH 3 O CH 3 H N H H H N N N O NH 2 F F Ki = 3.65 nM 431.49 CO[C@@H](C)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3718912 OBDepict CH 3 N H N N N CH 3 CH 3 N O Ki = 3.7 nM 379.51 Cc1c[nH]c2ncc(-c3cc(C4CCN(C5COC5)CC4)n(C(C)C)n3)cc12 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3718645 OBDepict CH 3 N O N N CH 3 H 3 C N N H F F F Ki = 3.7 nM 419.45 CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)CC1 Homo sapiens CHEMBL3721107 single protein format
CHEMBL3732793 OBDepict F O F NH 2 N N N N N N H H 3 C F Ki = 3.74 nM 463.51 C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCN4CCC[C@@H]4C3)n2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3730040 OBDepict F O F H 2 N N N N N H CH 3 F F H O Ki = 3.77 nM 425.39 CC1C(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3716545 OBDepict F O F H 2 N N N N H H H N O Ki = 3.9 nM 417.46 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CC3)n2)cc1OC(F)F Homo sapiens CHEMBL3721107 single protein format
CHEMBL3732998 OBDepict F O F NH 2 N N N H H H N O Ki = 3.91 nM 429.47 Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5CCOC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3732323 OBDepict F O F H 2 N N N N N N H H O F F Ki = 3.92 nM 454.43 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(C(F)F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format
CHEMBL3729832 OBDepict CH 3 O N N N N O H 2 N F F Ki = 3.96 nM 459.54 COCCN1CC2CC(CC(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C2)C1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL4128889 OBDepict H 3 C OH N H H H N N CH 3 H 3 C N H 2 N F F F Ki = 4.0 nM 409.46 CC(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C Homo sapiens CHEMBL4119867 cell-based format
CHEMBL3393314 OBDepict CH 3 N N N H N N O CH 3 H 3 C Ki = 4.0 nM 415.54 Cc1nc(Nc2cc(C(C)C)ccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1 Homo sapiens CHEMBL3395585 single protein format
CHEMBL3732744 OBDepict F O F NH 2 N N N N N H H N O CH 3 Ki = 4.0 nM 457.49 CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1 Homo sapiens CHEMBL3734233 single protein format
CHEMBL3727899 OBDepict F O F H 2 N N N N N N H H F H + S _ O Ki = 4.05 nM 454.48 Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3C[S+]4[O-])nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F Homo sapiens CHEMBL3734233 single protein format