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Q08881 | ITK_HUMAN | Tyrosine-protein kinase ITK/TSK (ITK)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Btk/CHORD zinc fingers" // BTK ]

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[ Domain: "SH3" // SH3_1_1 ]

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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
CHEMBL3426309 OBDepict O N H N N H N N H CH 3 F F H H S O O Ki = 0.09 nM 515.59 C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](c5ccccc5)[C@H]5CCCCS5(=O)=O)c4)c3C[C@@H]1C2(F)F Homo sapiens CHEMBL3428280 single protein format
CHEMBL3287197 OBDepict O N H N N H N N H 3 C S N O O CH 3 Ki < 0.1 nM 440.53 CC12Cc3[nH]nc(C(=O)Nc4cnn(C(CS(C)(=O)=O)c5cccnc5)c4)c3CC1C2 Homo sapiens CHEMBL3293061 single protein format
CHEMBL3263053 OBDepict H 3 C N CH 3 N H N N H O N N H N N H Ki = 0.1 nM 454.54 CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL3355737 OBDepict H N N N H N HN S O O H H OH Ki = 0.17 nM 481.62 O=S(=O)(c1ccccc1)c1cc(Nc2cc(C3CCCC3)[nH]n2)nc(N[C@H]2CC[C@H](O)CC2)c1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL3426308 OBDepict O N H N N H N N H CH 3 H S O O Ki = 0.2 nM 479.61 C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](c5ccccc5)C5CCS(=O)(=O)CC5)c4)c3C[C@@H]1C2 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3298373 OBDepict O HN N N H N N H 3 C CH 3 H NH Ki = 0.2 nM 432.57 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCNCC4)c3)n[nH]c2C1 Homo sapiens CHEMBL3380548 single protein format
CHEMBL3263055 OBDepict H N N N H N N H O N N H HO CH 3 CH 3 Ki = 0.23 nM 441.5 CC(C)(O)[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL3355728 OBDepict CH 3 S N N H N HN S O O H H OH Ki = 0.27 nM 444.58 Cc1cnc(Nc2cc(S(=O)(=O)c3ccccc3)cc(N[C@H]3CC[C@H](O)CC3)n2)s1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL2017556 OBDepict CH 3 OH H 3 C N H N N S H F F IC50 = 0.3 nM 375.44 CCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(C(F)F)sc34)[nH]c2c1 Homo sapiens CHEMBL2020887 cell-based format
CHEMBL3426304 OBDepict O HN N N H N N H 3 C CH 3 H S O O Ki = 0.3 nM 481.62 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCS(=O)(=O)CC4)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3426303 OBDepict O NH N N H N N CH 3 H 3 C H S O O Ki = 0.3 nM 481.62 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCCCS4(=O)=O)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3426305 OBDepict _ O + S N H N NH O N N H CH 3 CH 3 Ki = 0.3 nM 465.62 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CC[S+]([O-])CC4)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3287196 OBDepict F N N N N H O N N H CH 3 CH 3 Ki = 0.3 nM 450.56 CC1(C)CCc2c(C(=O)Nc3cnn(C(c4ccccc4)C4CN(CCF)C4)c3)n[nH]c2C1 Homo sapiens CHEMBL3293061 single protein format
CHEMBL3426307 OBDepict O N H N N H N N CH 3 F F Ki = 0.3 nM 383.4 CC12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2(F)F Homo sapiens CHEMBL3428280 single protein format
CHEMBL4203077 OBDepict CH 2 N O H N NH N O S N H O H 3 C H N H 3 C H 3 C CH 3 IC50 = 0.34 nM 586.76 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3355738 OBDepict H N N N H N HN S O O H H OH Ki = 0.38 nM 495.65 O=S(=O)(c1ccccc1)c1cc(Nc2cc(C3CCCCC3)[nH]n2)nc(N[C@H]2CC[C@H](O)CC2)c1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL4219011 OBDepict CH 3 NH N S N H O N N H N O CH 2 IC50 = 0.41 nM 512.64 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(NC)c4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3426306 OBDepict O N H N N H N N CH 3 CH 3 H S O O CH 3 Ki = 0.5 nM 441.56 CC1(C)CCc2c(C(=O)Nc3cnn([C@@H](CS(C)(=O)=O)c4ccccc4)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3086538 OBDepict CH 3 N CH 3 O H 3 C H H N H O N S N N H Ki = 0.5 nM 475.62 CCN(CC)Cc1cc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)ccc1OC Homo sapiens CHEMBL3088400 single protein format
CHEMBL4464404 OBDepict CH 2 NH O O N N H N N H N N O IC50 = 0.5 nM 533.59 C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccncc4)c23)c1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL4206765 OBDepict CH 2 N O H N NH N O S N O H IC50 = 0.53 nM 499.6 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cc[nH]c(=O)c4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3263050 OBDepict OH N H N N H O N N H N N H Ki = 0.56 nM 413.44 O=C(Nc1cnn([C@@H](CO)c2ccccc2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12 Homo sapiens CHEMBL3267591 single protein format
CHEMBL4214683 OBDepict CH 2 N O H N NH N O S N N CH 3 IC50 = 0.58 nM 498.61 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(C)n4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3086535 OBDepict CH 3 N CH 3 N H O N S N N H Ki = 0.6 nM 417.54 CN(C)Cc1ccc(C2CC2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 Homo sapiens CHEMBL3088400 single protein format
CHEMBL4207292 OBDepict CH 2 N O H N NH N O S N NH 2 IC50 = 0.67 nM 498.61 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)c4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3298371 OBDepict CH 3 N H 3 C N H N N H O N N H H 3 C H 3 C Ki = 0.7 nM 420.56 CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 Homo sapiens CHEMBL3380548 single protein format
CHEMBL3298375 OBDepict H 3 C N CH 3 N H N N H CH 3 O N N H H 3 C H 3 C Ki = 0.7 nM 434.59 Cc1cccc([C@H](CCN(C)C)n2cc(NC(=O)c3n[nH]c4c3CCC(C)(C)C4)cn2)c1 Homo sapiens CHEMBL3380548 single protein format
CHEMBL3086536 OBDepict CH 3 N CH 3 H H N H O N S N N H Ki = 0.7 nM 417.54 CN(C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 Homo sapiens CHEMBL3088400 single protein format
CHEMBL4215147 OBDepict CH 2 N O H N NH N O S N H O N H 3 C CH 3 HO IC50 = 0.7 nM 588.73 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL4216187 OBDepict CH 2 N O H N NH N O S N H H 3 C O N IC50 = 0.72 nM 502.6 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(NC)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3298370 OBDepict CH 3 N H 3 C N H N N H O N N H H 3 C H 3 C Ki = 0.8 nM 406.53 CN(C)C[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 Homo sapiens CHEMBL3380548 single protein format
CHEMBL3263036 OBDepict N N N N H O N N H N N H Ki = 0.8 nM 408.43 N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL3263054 OBDepict H N N N H N N H O N N H HO CH 3 CH 3 Ki = 0.8 nM 441.5 CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL4211372 OBDepict CH 2 N O H N NH N O S O N IC50 = 0.81 nM 473.56 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL4202941 OBDepict CH 2 N O H N NH N O S N H F F H 3 C CH 3 HO IC50 = 0.87 nM 571.69 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3426301 OBDepict O N H N N H N N H 3 C H 3 C H S O O Ki = 0.9 nM 467.6 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCS(=O)(=O)C4)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL4217959 OBDepict CH 2 N O H N NH N O S N N NH 2 IC50 = 0.92 nM 499.6 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)n4)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3263052 OBDepict H 3 C N CH 3 N H N N H O N N H N N H Ki = 0.93 nM 454.54 CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL4208358 OBDepict CH 2 N O H N NH N O S F O N IC50 = 0.99 nM 491.55 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(F)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL495181 OBDepict CH 3 N CH 3 H CH 3 CH 3 CH 3 N N H N HO H 3 C CH 3 O S N N H IC50 = 1.0 nM 508.69 C[C@@H](N(C)Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C Homo sapiens CHEMBL1018826 single protein format
CHEMBL521695 OBDepict CH 3 N N N N H N HO H 3 C CH 3 O S N N H IC50 = 1.0 nM 515.64 CN(Cc1cccnc1)Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL522682 OBDepict CH 3 N O H 3 C N N H N HO H 3 C CH 3 O S N N H IC50 = 1.0 nM 508.65 CC1COCC(C)N1Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL494993 OBDepict H N N S N O N N H OH H 3 C H 3 C HN CH 3 H H 3 C CH 3 H 3 C IC50 = 1.0 nM 494.67 C[C@@H](NCc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C Homo sapiens CHEMBL1018826 single protein format
CHEMBL493537 OBDepict H N N S N O N N H OH CH 3 CH 3 NH IC50 = 1.0 nM 500.63 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CNCc3ccccc3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL493928 OBDepict H N N S N O N N H OH CH 3 CH 3 NH IC50 = 1.0 nM 492.65 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CNC3CCCCC3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL522328 OBDepict H N N S N O N N H OH H 3 C H 3 C HN CH 3 H H 3 C CH 3 H 3 C IC50 = 1.0 nM 494.67 C[C@H](NCc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C Homo sapiens CHEMBL1018826 single protein format
CHEMBL522871 OBDepict CH 3 H 3 C HN N N H N OH CH 3 H 3 C O S N N H IC50 = 1.0 nM 466.61 CC(C)CNCc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL522711 OBDepict CH 3 N CH 3 H CH 3 CH 3 CH 3 N N H N HO H 3 C CH 3 O S N N H IC50 = 1.0 nM 508.69 C[C@H](N(C)Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C Homo sapiens CHEMBL1018826 single protein format
CHEMBL3263049 OBDepict H 3 C N H N N H O N N H N N H Ki = 1.0 nM 411.47 CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL3355732 OBDepict CH 3 O N H N N H N HN S O O H H OH Ki = 1.2 nM 519.63 COc1ccc(-c2cc(Nc3cc(S(=O)(=O)c4ccccc4)cc(N[C@H]4CC[C@H](O)CC4)n3)n[nH]2)cc1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL3298376 OBDepict H 3 C N CH 3 N H N N H Cl O N N H CH 3 CH 3 Ki = 1.2 nM 455.01 CN(C)CC[C@@H](c1cccc(Cl)c1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 Homo sapiens CHEMBL3380548 single protein format
CHEMBL4549626 OBDepict CH 2 N O O N N H N N H N HN CH 3 N O IC50 < 1.26 nM 554.66 C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccnc(NC)c4)c23)CC1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL4458344 OBDepict H 2 C N O H O N N H N N N H N HN CH 3 N O IC50 < 1.26 nM 555.64 C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)C1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL4457018 OBDepict CH 3 N N N H N N O N H H N N N O NH CH 2 H 3 C IC50 = 1.3 nM 582.71 C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCN(CC)CC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)C1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL3263035 OBDepict N N N N H O N N H N H 2 N Ki = 1.4 nM 434.46 N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5ccc(N)nc5)ccc34)cn2)c1 Homo sapiens CHEMBL3267591 single protein format
CHEMBL4210857 OBDepict CH 2 N O H N NH N O N H H 3 C H N H 3 C H 3 C CH 3 IC50 = 1.5 nM 538.7 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C#N)cc3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL4218914 OBDepict CH 2 N O H N NH N O S N F F O IC50 = 1.52 nM 555.65 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN4CCOCC4)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3355736 OBDepict H N N N H N HN S O O H H OH Ki = 1.6 nM 467.6 O=S(=O)(c1ccccc1)c1cc(Nc2cc(C3CCC3)[nH]n2)nc(N[C@H]2CC[C@H](O)CC2)c1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL4215807 OBDepict CH 2 N O H N NH N O S N N H H 3 C H H 3 C H 3 C CH 3 IC50 = 1.62 nM 520.7 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccns3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3263039 OBDepict O N H N N S H N Ki = 1.7 nM 334.4 O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12 Homo sapiens CHEMBL3267591 single protein format
CHEMBL3355733 OBDepict F N H N HN N N H S O O H H HO Ki = 1.8 nM 507.59 O=S(=O)(c1ccccc1)c1cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(N[C@H]2CC[C@H](O)CC2)c1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL2017552 OBDepict H N N N S HO CH 3 CH 3 H IC50 = 1.9 nM 297.38 CC(C)(O)c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1 Homo sapiens CHEMBL2020887 cell-based format
CHEMBL3086537 OBDepict CH 3 N CH 3 H H N H O N S N N H Ki = 1.9 nM 417.54 CN(C)Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1 Homo sapiens CHEMBL3088400 single protein format
CHEMBL481720 OBDepict H 2 N O N N N H O N S CH 3 O N N H IC50 = 2.0 nM 513.58 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL493319 OBDepict H N N S N O N N H OH CH 3 CH 3 NH IC50 = 2.0 nM 486.6 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CNc3ccccc3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL481900 OBDepict N N S N O N N H N O NH 2 CH 3 O IC50 = 2.0 nM 549.62 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cncc(C#N)c3)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL495026 OBDepict CH 3 NH CH 3 N N H N HO H 3 C CH 3 O S N N H IC50 = 2.0 nM 466.61 CCC(C)NCc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL482169 OBDepict O S N O N N H O NH 2 N CH 3 O IC50 = 2.0 nM 475.53 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(C=O)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL494743 OBDepict HO N N N H N OH CH 3 CH 3 O S N N H IC50 = 2.0 nM 480.59 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CN3CCC(O)C3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL494135 OBDepict CH 3 NH N N H N HO CH 3 CH 3 O S N N H IC50 = 2.0 nM 424.53 CNCc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL494027 OBDepict H N N S N O N N H HO H 3 C H 3 C N O IC50 = 2.0 nM 480.59 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CN3CCOCC3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL522849 OBDepict CH 3 N N N H N OH CH 3 H 3 C O S N N H IC50 = 2.0 nM 506.68 CN(Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C1CCCCC1 Homo sapiens CHEMBL1018826 single protein format
CHEMBL492990 OBDepict CH 3 N N CH 3 H 3 C N N H N HO H 3 C CH 3 O S N N H IC50 = 2.0 nM 495.65 CN(C)CCN(C)Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL481884 OBDepict NH 2 O N N N H O N S CH 3 O O N IC50 = 2.0 nM 514.57 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cnco3)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL519960 OBDepict H 2 N O N N N H O S N CH 3 O N IC50 = 2.0 nM 524.61 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3ccncc3)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL483581 OBDepict N N H O N N N O H 2 N H 3 C O F IC50 = 2.0 nM 484.49 CN(C(=O)c1ccc(F)cc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(N)=O Homo sapiens CHEMBL992543 single protein format
CHEMBL4204572 OBDepict CH 2 N O H N NH N O S F F H 3 C IC50 = 2.17 nM 470.55 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(C)(F)F)s3)nc3ccccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL4593230 OBDepict H 2 C N O H O N N H N N N H N N H CH 3 N N O H 3 C IC50 = 2.2 nM 596.7 C=CC(=O)N1CCC[C@@H]1COc1nc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)nc2[nH]cc(-c3cncc(NC)n3)c12 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL3355730 OBDepict H N N N H N HN S O O H H OH Ki = 2.3 nM 489.6 O=S(=O)(c1ccccc1)c1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(N[C@H]2CC[C@H](O)CC2)c1 Homo sapiens CHEMBL3389531 single protein format
CHEMBL4463563 OBDepict CH 2 N O O N N H N N N H N HN CH 3 N N O CH 3 IC50 = 2.3 nM 596.7 C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)CC1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL2017553 OBDepict CH 3 OH H 3 C N H N N S H IC50 = 2.4 nM 325.44 CCC(O)(CC)c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1 Homo sapiens CHEMBL2020887 cell-based format
CHEMBL3086533 OBDepict CH 3 O H H N H O N S N N H Ki = 2.5 nM 390.47 COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 Homo sapiens CHEMBL3088400 single protein format
CHEMBL3426302 OBDepict O N H N N H N N CH 3 CH 3 H S O O Ki = 2.6 nM 481.62 CC1(C)CCc2c(C(=O)Nc3cnn([C@H](c4ccccc4)C4CCCS(=O)(=O)C4)c3)n[nH]c2C1 Homo sapiens CHEMBL3428280 single protein format
CHEMBL3298369 OBDepict O N H N N H N N CH 3 Ki = 3.0 nM 347.42 CC12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2 Homo sapiens CHEMBL3380548 single protein format
CHEMBL528989 OBDepict CH 3 O N N H N O O N NH IC50 = 3.0 nM 405.46 COCCCn1c(NC(=O)c2ccno2)nc2cc(CNc3ccccc3)ccc21 Homo sapiens CHEMBL1006237 single protein format
CHEMBL520110 OBDepict NH 2 O N N N H O S N CH 3 O N F IC50 = 3.0 nM 542.6 CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3ccnc(F)c3)s1)n2CCC(N)=O Homo sapiens CHEMBL992190 single protein format
CHEMBL494136 OBDepict CH 3 N CH 3 N N H N HO CH 3 CH 3 O S N N H IC50 = 3.0 nM 438.56 CN(C)Cc1ccc2c(c1)[nH]/c(=NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O Homo sapiens CHEMBL1018826 single protein format
CHEMBL492931 OBDepict H 3 C N O S N O N N H HO CH 3 CH 3 N CH 3 O IC50 = 3.0 nM 529.62 Cc1ncc(-c2ccc(C(=O)/N=c3[nH]c4cc(N(C)C(=O)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1 Homo sapiens CHEMBL1018826 single protein format
CHEMBL485607 OBDepict H 2 N O N N H N O N CH 3 O Br IC50 = 3.0 nM 526.44 CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O Homo sapiens CHEMBL992563 single protein format
CHEMBL493008 OBDepict OH N N N H N OH H 3 C H 3 C O S N N H IC50 = 3.0 nM 508.65 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CN3CCCCC3CO)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL493007 OBDepict H N N S N O N N H HO H 3 C H 3 C N IC50 = 3.0 nM 478.62 CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CN3CCCCC3)ccc21 Homo sapiens CHEMBL1018826 single protein format
CHEMBL485591 OBDepict N O N N O H 2 N H 3 C O IC50 = 3.0 nM 470.57 CC(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccc(C#N)cc1)n2CCC(N)=O Homo sapiens CHEMBL992563 single protein format
CHEMBL485202 OBDepict NH 2 O N N H N O N H 3 C O IC50 = 3.0 nM 441.49 CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O Homo sapiens CHEMBL992543 single protein format
CHEMBL4541397 OBDepict CH 2 N O H N N N H O S N H H 3 C H F F H 3 C H 3 C CH 3 IC50 = 3.2 nM 543.68 C=CC(=O)N1CCC[C@@H]1Cn1/c(=N/C(=O)c2ccc(C(F)F)s2)[nH]c2cc(CN[C@@H](C)C(C)(C)C)ccc21 Homo sapiens CHEMBL4603777 single protein format
CHEMBL4206487 OBDepict CH 2 N O H N NH N O S N H F F H 3 C H H 3 C H 3 C CH 3 IC50 = 3.23 nM 569.72 C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2 Homo sapiens CHEMBL4199503 single protein format
CHEMBL3263038 OBDepict O N H N N N H N Ki = 3.4 nM 317.35 O=C(Nc1ccn(Cc2ccccc2)n1)c1n[nH]c2ccccc12 Homo sapiens CHEMBL3267591 single protein format
CHEMBL4440621 OBDepict CH 2 N O O N N H N N H N HN CH 3 N O IC50 = 3.6 nM 554.66 C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)c4)c23)CC1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL4637414 OBDepict H 2 C NH O O N OH H N N H F F IC50 = 3.6 nM 502.52 C=CC(=O)NCCOc1cc(C(O)c2ccccc2)cc2[nH]c(-c3n[nH]c4cc(C(F)F)ccc34)cc12 Homo sapiens CHEMBL4603778 single protein format
CHEMBL4469900 OBDepict H 2 C N O H O N N H N N N H N N H H 3 C N N O CH 3 IC50 = 3.7 nM 596.7 C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)C1 Homo sapiens CHEMBL4349139 cell-based format
CHEMBL4443805 OBDepict CH 2 N O O N N H N N N H N HN CH 3 N O IC50 = 3.7 nM 555.64 C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)CC1 Homo sapiens CHEMBL4349139 cell-based format