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P35557 | HXK4_HUMAN | Hexokinase-4 (GCK)

3D structures mapped by conservation among orthologs

[ Domain: "Ribonuclease H-like" // Hexokinase_1 ]

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[ Domain: "Ribonuclease H-like" // Hexokinase_2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -12300.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804384 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.81 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328430 single protein format
CHEMBL3319533 OBDepict NH 2 N S N O O N N N N OH CH 3 F F F F F F IC50 = 1.0 nM 565.5 Cn1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113985 OBDepict H N N N S O O S O OH CH 3 F F F IC50 = 2.0 nM 545.65 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2C3CCC2COC3)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114185 OBDepict CH 3 H N N S O O N NH 2 OH F F F F F F IC50 = 4.0 nM 522.47 CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319534 OBDepict CH 3 N N N N OH F F F F F F N S O O N NH 2 IC50 = 5.0 nM 579.53 CCn1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319529 OBDepict CH 3 O N N OH F F F F F F N S O O N NH 2 IC50 = 5.0 nM 553.49 COCC#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1N1CCN(S(=O)(=O)c2ccc(N)nc2)CC1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319540 OBDepict H 3 C S N N OH F F F F F F N S O O N NH 2 IC50 = 5.0 nM 581.56 Cc1csc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319549 OBDepict NH 2 N S N O O N N N OH F F F F F F IC50 = 5.0 nM 562.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cccnc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3114183 OBDepict CH 3 N N S O O N NH 2 OH F F F F F F IC50 = 6.0 nM 522.47 CC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319544 OBDepict NH 2 N S N O O N N HO OH F F F F F F IC50 = 6.0 nM 577.51 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccccc3O)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3114186 OBDepict CH 3 H N N S O O N NH 2 OH CH 3 F F F IC50 = 6.0 nM 468.5 CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc([C@](C)(O)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113980 OBDepict H N N N S H CH 3 O O S O OH H 3 C F F F IC50 = 7.0 nM 533.64 C[C@H]1COCCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319542 OBDepict NH 2 N S N O O N N F OH F F F F F F IC50 = 7.0 nM 579.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccccc3F)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319541 OBDepict NH 2 N S N O O N N OH F F F F F F IC50 = 7.0 nM 561.51 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccccc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319543 OBDepict F N N OH F F F F F F N S O O N NH 2 IC50 = 8.0 nM 579.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cccc(F)c3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3114187 OBDepict CH 3 H N N S O O N NH 2 OH CH 3 F F F IC50 = 9.0 nM 468.5 CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc([C@@](C)(O)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL4793665 OBDepict CH 3 N N S N O NH 2 N IC50 = 10.2 nM 395.53 CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1 Homo sapiens CHEMBL4674071 single protein format
CHEMBL3319551 OBDepict F N N N OH F F F F F F N S O O N NH 2 IC50 = 11.0 nM 580.49 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cncc(F)c3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3317472 OBDepict F N N OH F F F F F F N S O O N NH 2 IC50 = 11.0 nM 579.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccc(F)cc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319528 OBDepict OH N N OH F F F F F F N S O O N NH 2 IC50 = 14.0 nM 539.46 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C#CCO)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113988 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 14.0 nM 561.65 C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@H]3COC[C@@H]2[C@H](O)C3)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113989 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 16.0 nM 561.65 C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@H]3COC[C@@H]2[C@H](O)C3)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319554 OBDepict CH 3 O N N N OH F F F F F F N S O O N NH 2 IC50 = 16.0 nM 592.52 COc1ccc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319531 OBDepict OH N N OH F F F F F F N S O O N NH 2 IC50 = 17.0 nM 553.49 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C#CCCO)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319555 OBDepict H 3 C O N N N OH F F F F F F N S O O N NH 2 IC50 = 17.0 nM 592.52 COc1cncc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319539 OBDepict NH 2 N S N O O N N O OH F F F F F F IC50 = 19.0 nM 551.47 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccoc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319548 OBDepict NH 2 N S N O O N N OH N F F F F F F IC50 = 21.0 nM 562.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3ccncc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319535 OBDepict NH 2 N S N O O N N N N OH F F F F F F CH 3 CH 3 IC50 = 23.0 nM 593.55 CC(C)n1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319550 OBDepict NH 2 N S N O O N N N F OH F F F F F F IC50 = 24.0 nM 580.49 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cnccc3F)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113990 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 25.0 nM 561.65 C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@@H]3COC[C@H]2[C@@H](O)C3)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113987 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 26.0 nM 561.65 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@H]3COC[C@H]2C[C@@H]3O)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319552 OBDepict H 3 C N N N OH F F F F F F N S O O N NH 2 IC50 = 29.0 nM 576.52 Cc1cncc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319527 OBDepict NH 2 N S N O O N N OH F F F F F F IC50 = 33.0 nM 549.5 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C#CC3CC3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319537 OBDepict NH 2 N S N O O N N N CH 3 N OH CH 3 F F F F F F IC50 = 40.0 nM 579.53 Cc1c(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cnn1C Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319553 OBDepict H 3 C N N N OH F F F F F F N S O O N NH 2 IC50 = 40.0 nM 576.52 Cc1ccc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113986 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 44.0 nM 561.65 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@H]3COC[C@H]2C[C@H]3O)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319530 OBDepict NH 2 N S N O O N N OH HO CH 3 CH 3 F F F F F F IC50 = 49.0 nM 567.51 CC(C)(O)C#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cnc1N1CCN(S(=O)(=O)c2ccc(N)nc2)CC1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113991 OBDepict H N O H HO H H N N S O O S HO H 3 C F F F IC50 = 56.0 nM 561.65 C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2[C@@H]3COC[C@H]2[C@@H](O)C3)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114188 OBDepict H 3 C N N S O O N NH 2 OH F F F F F F IC50 = 56.0 nM 536.5 CCC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114000 OBDepict NH 2 N S N O O N OH F F F F F F IC50 = 87.0 nM 484.42 Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cn1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113983 OBDepict H 3 C N S O O H N N S O O S OH CH 3 F F F IC50 = 90.0 nM 581.7 CC1CS(=O)(=O)CCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319524 OBDepict NH 2 N S N O O N N Br OH F F F F F F IC50 = 112.0 nM 564.31 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3Br)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319522 OBDepict NH 2 N S N O O N N OH F F F F F F IC50 = 176.0 nM 485.41 Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319523 OBDepict NH 2 N S N O O N N Cl OH F F F F F F IC50 = 201.0 nM 519.86 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3Cl)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3319532 OBDepict NH 2 N S N O O N N N N OH H F F F F F F IC50 = 201.0 nM 551.47 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3-c3cc[nH]n3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113994 OBDepict H 2 N S S N O O N OH F F F F F F IC50 = 252.0 nM 489.46 Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)s1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114001 OBDepict OH F F F F F F N N S O O N N NH 2 IC50 = 316.0 nM 485.41 Nc1ncc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cn1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113995 OBDepict H 2 N S S N O O N OH F F F F F F IC50 = 324.0 nM 489.46 Nc1csc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113982 OBDepict O S O N H N N S O O S OH H 3 C F F F IC50 = 343.0 nM 567.68 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113981 OBDepict F F N H N N S O O S OH H 3 C F F F IC50 = 439.0 nM 553.62 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CCC(F)(F)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113996 OBDepict NH 2 S N O O N OH F F F F F F IC50 = 445.0 nM 483.43 Nc1ccccc1S(=O)(=O)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113998 OBDepict OH F F F F F F N N S O O NH 2 IC50 = 484.0 nM 483.43 Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114184 OBDepict CH 3 H N N S O O N NH 2 OH F F F F F F IC50 = 484.0 nM 522.47 CC#C[C@@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3113984 OBDepict H N N N S O O S O OH CH 3 F F F IC50 = 524.0 nM 531.62 CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CC3(COC3)C2)cc1)C(F)(F)F Homo sapiens CHEMBL3117036 single protein format
CHEMBL3319526 OBDepict NH 2 N S N O O N N OH F F F F F F IC50 = 601.0 nM 525.48 Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1 Homo sapiens CHEMBL3364949 single protein format
CHEMBL3113997 OBDepict H 2 N S N O O N OH F F F F F F IC50 = 645.0 nM 483.43 Nc1cccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)c1 Homo sapiens CHEMBL3117036 single protein format
CHEMBL3114189 OBDepict NH 2 N S N O O N OH F F F F F F IC50 = 779.0 nM 548.51 Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C(C#CC3CC3)C2)cn1 Homo sapiens CHEMBL3117036 single protein format