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P12268 | IMDH2_HUMAN | Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)

3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // IMPDH_1st ]

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[ Domain: "CBS-domain" // IMPDH_2nd ]

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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
CHEMBL152988 OBDepict CH 3 O N O N OH H 3 C IC50 < 5.0 nM 332.36 COc1cc2nc(-c3ccc(C)cc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL152959 OBDepict H 3 C O N O N OH O CH 3 IC50 < 5.0 nM 348.36 COc1ccc(-c2cc(O)c3cc(-c4cnco4)c(OC)cc3n2)cc1 Homo sapiens CHEMBL698781 single protein format
CHEMBL153481 OBDepict CH 3 O N O N OH O H 3 C N O IC50 < 5.0 nM 461.52 COc1cc2nc(-c3ccc(C)c(OCCN4CCOCC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL153794 OBDepict CH 3 O N O N OH N H 3 C O IC50 = 5.0 nM 417.47 COc1cc2nc(-c3ccc(C)c(N4CCOCC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL356881 OBDepict CH 3 O N O N OH O H 3 C O IC50 < 5.0 nM 432.48 COc1cc2nc(-c3ccc(C)c(OCC4CCCO4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL358876 OBDepict CH 3 O N O N OH H 3 C H 3 C IC50 < 5.0 nM 346.39 COc1cc2nc(-c3ccc(C)c(C)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL150777 OBDepict CH 3 O N O N OH H 3 C IC50 = 5.0 nM 332.36 COc1cc2nc(-c3cccc(C)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL152910 OBDepict CH 3 O N O N OH Br IC50 = 5.0 nM 397.23 COc1cc2nc(-c3ccc(Br)cc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL280793 OBDepict O N N H N IC50 = 5.0 nM 287.32 c1ccc(-c2cnc(Nc3ccc4cnccc4c3)o2)cc1 Homo sapiens CHEMBL615267 single protein format
CHEMBL153118 OBDepict CH 3 O N O N HO N IC50 = 6.0 nM 413.48 COc1cc2nc(-c3ccc4c(c3)C(N3CCC3)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL422508 OBDepict CH 3 O N O N OH N CH 3 H 3 C IC50 = 6.0 nM 401.47 COc1cc2nc(-c3ccc4c(c3)C(N(C)C)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL118988 OBDepict N O H CH 3 HN O HN N H O O H 3 C N IC50 = 6.0 nM 421.46 CC[C@H](CC#N)OC(=O)NCc1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 Homo sapiens CHEMBL699558 single protein format
CHEMBL23843 OBDepict CH 3 O N O N OH Ki = 7.0 nM 318.33 COc1cc2nc(-c3ccccc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699566 single protein format
CHEMBL109312 OBDepict CH 3 O O N O H 3 C O N N H N H O N IC50 = 7.0 nM 471.47 CC(=O)OCC(=O)N(C)c1ccccc1-c1cnc(Nc2ccc3c(-c4cnco4)c[nH]c3c2)o1 Homo sapiens CHEMBL699559 single protein format
CHEMBL230256 OBDepict O N H F CH 3 CH 3 S N O O H 3 C CH 3 N H O IC50 = 7.9 nM 481.55 CN(C)S(=O)(=O)c1cccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)c1 Homo sapiens CHEMBL889231 single protein format
CHEMBL23843 OBDepict CH 3 O N O N OH IC50 = 8.0 nM 318.33 COc1cc2nc(-c3ccccc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL131856 OBDepict CH 2 CH 3 OH O CH 3 O O OH IC50 = 8.51 nM 316.35 C=Cc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL698526 single protein format
CHEMBL347721 OBDepict CH 3 O N O N OH S IC50 = 9.0 nM 324.36 COc1cc2nc(-c3ccsc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL304087 OBDepict H 3 C O NH O N N H O HN O O H O IC50 = 10.0 nM 452.47 COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL426531 OBDepict O N H F CH 3 H 3 C S N O O H 3 C CH 3 N H O IC50 = 10.0 nM 481.55 CN(C)S(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL25138 OBDepict H 3 C O N H O N O HN O CH 3 CH 3 H 3 C IC50 = 10.0 nM 317.35 COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL698521 single protein format
CHEMBL866 OBDepict CH 3 O CH 3 OH O CH 3 O O OH Ki = 10.0 nM 320.34 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL699565 single protein format
CHEMBL356236 OBDepict CH 3 O N O N OH O IC50 < 10.0 nM 386.41 COc1cc2nc(-c3ccc4c(c3)C(=O)CCC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL68075 OBDepict CH 3 O N H O N N O N H 3 C O N N IC50 = 11.0 nM 470.49 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)Cn3cccn3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL112967 OBDepict O N H NH N CH 3 H O N IC50 = 11.0 nM 332.36 Cc1ccc(NC(=O)Nc2ccc3c(-c4cnco4)c[nH]c3c2)cc1 Homo sapiens CHEMBL699559 single protein format
CHEMBL423952 OBDepict CH 3 O N O N OH O N O CH 3 H 3 C IC50 = 11.0 nM 445.48 COc1cc2nc(-c3ccc4c(c3)C(OC(=O)N(C)C)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL231660 OBDepict O N H F CH 3 H 3 C N N H O IC50 = 11.0 nM 375.4 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL230734 OBDepict O N H F CH 3 H 3 C N H O IC50 = 11.0 nM 374.42 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL228694 OBDepict O N H F CH 3 H 3 C N CH 3 N O N H O IC50 = 11.0 nM 474.54 Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1 Homo sapiens CHEMBL889231 single protein format
CHEMBL230148 OBDepict O N H F H 3 C CH 3 S O O H 3 C N H O IC50 = 12.0 nM 452.51 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(S(C)(=O)=O)c1 Homo sapiens CHEMBL889231 single protein format
CHEMBL155617 OBDepict CH 3 O N O CH 3 N HO O H 3 C O N IC50 = 12.0 nM 459.5 COCC(=O)N(C)C1CCc2ccc(-c3cc(O)c4cc(-c5cnco5)c(OC)cc4n3)cc21 Homo sapiens CHEMBL699556 single protein format
CHEMBL230091 OBDepict O N H F CH 3 CH 3 S O O CH 3 N H O IC50 = 12.0 nM 452.51 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL64830 OBDepict CH 3 O N H O N N O N H 3 C O N O IC50 = 12.0 nM 489.53 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCOCC3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL357309 OBDepict H 3 C NH N HO O CH 3 O N IC50 = 12.0 nM 387.44 CNC1CCc2ccc(-c3cc(O)c4cc(-c5cnco5)c(OC)cc4n3)cc21 Homo sapiens CHEMBL699556 single protein format
CHEMBL132070 OBDepict CH 3 CH 3 OH O CH 3 O O OH IC50 = 12.6 nM 318.37 CCc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL698526 single protein format
CHEMBL66614 OBDepict CH 3 O N H O N N O N H 3 C O N N N IC50 = 13.0 nM 471.48 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)Cn3cncn3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL182139 OBDepict CH 3 O N O H N S N O N IC50 = 13.0 nM 380.43 COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1 Homo sapiens CHEMBL827223 single protein format
CHEMBL208921 OBDepict CH 3 CH 3 OH O H 3 C O HN P O OH HO IC50 = 13.0 nM 383.38 CCc1c(C)c2c(c(O)c1C/C=C(C)CNCCP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865552 single protein format
CHEMBL153389 OBDepict CH 3 O N O N OH N IC50 = 13.0 nM 427.5 COc1cc2nc(-c3ccc4c(c3)C(N3CCCC3)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL67036 OBDepict H 3 C O N H O N N O N CH 3 O N O IC50 = 13.0 nM 503.56 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CCN3CCOCC3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL228957 OBDepict O N H F CH 3 H 3 C N N CH 3 CH 3 N H O IC50 = 14.0 nM 418.47 CN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1 Homo sapiens CHEMBL889231 single protein format
CHEMBL866 OBDepict CH 3 O CH 3 OH O CH 3 O O OH IC50 = 14.0 nM 320.34 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL697550 single protein format
CHEMBL154752 OBDepict CH 3 O N O N OH N H 3 C IC50 = 14.0 nM 373.41 COc1cc2nc(-c3ccc4c(c3)CN(C)C4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL357949 OBDepict CH 3 O N O N OH N O O H 3 C IC50 = 14.0 nM 417.42 COc1cc2nc(-c3ccc4c(c3)N(C(C)=O)CCO4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL357291 OBDepict CH 3 O N O N OH N CH 3 H 3 C IC50 = 15.0 nM 415.49 COc1cc2nc(-c3ccc4c(c3)C(N(C)C)CCC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL434894 OBDepict CH 3 O H H N H 3 C CH 3 N OH O CH 3 O N IC50 = 15.0 nM 431.49 COc1cc2nc(-c3ccc4c(c3)[C@@H](N(C)C)[C@H](OC)C4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL359344 OBDepict CH 3 O N O N OH N H 3 C IC50 = 15.0 nM 401.47 COc1cc2nc(-c3ccc(C)c(N4CCCC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL63158 OBDepict CH 3 O N H O N N O N CH 3 O N H 3 C H 3 C IC50 = 15.0 nM 447.5 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN(C)C)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL149699 OBDepict CH 3 O N O N OH N N H 3 C IC50 = 16.0 nM 416.48 COc1cc2nc(-c3cccc(N4CCN(C)CC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL101984 OBDepict N NH N N H O N H 3 C O O NH N N IC50 = 16.0 nM 506.53 COc1cc(N/C(=N/c2cccc(C/N=C(NC#N)Oc3ccccc3)c2)NC#N)ccc1-c1cnco1 Homo sapiens CHEMBL699561 single protein format
CHEMBL180007 OBDepict CH 3 O N O H N S N O CH 3 IC50 = 17.0 nM 289.32 COc1cc2[nH]c(=S)n(C)c(=O)c2cc1-c1cnco1 Homo sapiens CHEMBL827223 single protein format
CHEMBL230578 OBDepict O N H F CH 3 H 3 C N O NH N H O IC50 = 17.0 nM 432.46 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2c(c1)OCCN2 Homo sapiens CHEMBL889231 single protein format
CHEMBL229008 OBDepict CH 3 N N N N H H 3 C CH 3 O F N H O IC50 = 17.0 nM 487.58 CCN1CCN(c2ccc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cn2)CC1 Homo sapiens CHEMBL889231 single protein format
CHEMBL302967 OBDepict CH 3 O N H O N N O N H 3 C O N N H 3 C IC50 = 17.0 nM 502.58 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CCN(C)CC3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL416932 OBDepict OH HN O HN O O CH 3 O N IC50 = 18.0 nM 359.38 COc1cc(NC(=O)C(=O)NC2(CO)CCCC2)ccc1-c1cnco1 Homo sapiens CHEMBL698522 single protein format
CHEMBL150728 OBDepict CH 3 O N O N OH HO IC50 = 18.0 nM 334.33 COc1cc2nc(-c3cccc(O)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL430998 OBDepict CH 3 O N H O N N N HO N IC50 = 18.0 nM 361.36 COc1cc(Nc2nc(O)nc(-c3ccccc3)n2)ccc1-c1cnco1 Homo sapiens CHEMBL699557 single protein format
CHEMBL154867 OBDepict CH 3 O N O N OH N H 3 C O N O IC50 = 18.0 nM 514.58 COc1cc2nc(-c3ccc4c(c3)C(N(C)C(=O)CN3CCOCC3)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL27948 OBDepict O N H NH CH 3 N IC50 = 18.0 nM 277.33 Cc1cccc(NC(=O)Nc2ccc3cnccc3c2)c1 Homo sapiens CHEMBL615267 single protein format
CHEMBL306453 OBDepict CH 3 O N H O N N O N CH 3 O CH 3 IC50 = 18.0 nM 404.43 COc1cc(Nc2ncc(-c3ccccc3N(C)C(C)=O)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL153516 OBDepict CH 3 O N O N OH N H 3 C O H 3 C IC50 = 18.0 nM 429.48 COc1cc2nc(-c3ccc4c(c3)C(N(C)C(C)=O)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL443814 OBDepict OH O CH 3 CH 3 OH CH 3 O O IC50 = 18.6 nM 304.34 C/C(=CCc1c(C)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O Homo sapiens CHEMBL697548 single protein format
CHEMBL394618 OBDepict O N H H 3 C CH 3 N H O IC50 = 19.0 nM 356.43 CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL356371 OBDepict CH 3 O N O N OH Br H 3 C IC50 = 19.0 nM 411.26 COc1cc2nc(-c3ccc(C)c(Br)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL27777 OBDepict OH HN CH 3 CH 3 O N H O O H 3 C O N IC50 = 19.0 nM 333.34 COc1cc(NC(=O)C(=O)NC(C)(C)CO)ccc1-c1cnco1 Homo sapiens CHEMBL698522 single protein format
CHEMBL65013 OBDepict CH 3 O HN O N N H O CH 3 IC50 = 19.0 nM 323.35 COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL228691 OBDepict CH 3 O N N N H H 3 C CH 3 O F N H O O IC50 = 20.0 nM 490.54 COc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1 Homo sapiens CHEMBL889231 single protein format
CHEMBL387709 OBDepict O N H F CH 3 H 3 C N N O N H O IC50 = 20.0 nM 460.51 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(N2CCOCC2)nc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL417047 OBDepict H 3 C O N H O N N O N CH 3 O N H H 3 C CH 3 H 3 C IC50 = 20.0 nM 475.55 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CNC(C)(C)C)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL230090 OBDepict H 3 C N CH 3 O HN CH 3 CH 3 O F N H O IC50 = 20.0 nM 461.54 CN(C)CCOc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1 Homo sapiens CHEMBL889231 single protein format
CHEMBL153411 OBDepict CH 3 O N O N OH N O IC50 = 20.0 nM 443.5 COc1cc2nc(-c3ccc4c(c3)C(N3CCOCC3)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL428633 OBDepict H 3 C H 3 C OH O CH 3 O P O OH OH IC50 = 20.0 nM 340.31 CCc1c(C)c2c(c(O)c1C/C=C(C)CP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865552 single protein format
CHEMBL64639 OBDepict CH 3 O N H O N N O IC50 = 20.0 nM 333.35 COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL149755 OBDepict CH 3 O N O N OH N O IC50 = 21.0 nM 403.44 COc1cc2nc(-c3ccc(N4CCOCC4)cc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL62748 OBDepict HO N O H 3 C O N N H Br O N IC50 = 21.0 nM 469.3 CN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Br)c2)o1 Homo sapiens CHEMBL698521 single protein format
CHEMBL302827 OBDepict HO N O CH 3 O N N H O CH 3 O N IC50 = 21.0 nM 420.43 COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cnco1 Homo sapiens CHEMBL698521 single protein format
CHEMBL153773 OBDepict CH 3 O N O N OH O N CH 3 H 3 C IC50 = 21.0 nM 417.47 COc1cc2nc(-c3ccc4c(c3)C(N(C)C)CCO4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL182242 OBDepict CH 3 O N O H N O N S N N IC50 = 22.0 nM 383.43 COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1-c1cnco1 Homo sapiens CHEMBL827223 single protein format
CHEMBL305977 OBDepict CH 3 N H N O H 3 C O N N H O H 3 C O N IC50 = 22.0 nM 433.47 CNCC(=O)N(C)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1 Homo sapiens CHEMBL697550 single protein format
CHEMBL230581 OBDepict O N H F H 3 C CH 3 N N CH 3 H 3 C N H O IC50 = 22.0 nM 418.47 CN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1 Homo sapiens CHEMBL889231 single protein format
CHEMBL153241 OBDepict CH 3 O N O N OH Br IC50 = 22.0 nM 397.23 COc1cc2nc(-c3cccc(Br)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL209069 OBDepict H 3 C H 3 C OH O CH 3 O O P O OH OH IC50 = 23.0 nM 370.34 CCc1c(C)c2c(c(O)c1C/C=C(C)COCP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865552 single protein format
CHEMBL230579 OBDepict CH 3 N NH H 3 C H 3 C O F N H O IC50 = 23.0 nM 389.43 Cc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1 Homo sapiens CHEMBL889231 single protein format
CHEMBL302748 OBDepict CH 3 O N H O N N O O CH 3 IC50 = 23.0 nM 363.37 COc1cc(Nc2ncc(-c3ccccc3OC)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL380059 OBDepict H 3 C H 3 C OH O CH 3 O N S O O NH 2 P O OH OH IC50 = 24.0 nM 462.46 CCc1c(C)c2c(c(O)c1C/C=C(C)CN(CCP(=O)(O)O)S(N)(=O)=O)C(=O)OC2 Homo sapiens CHEMBL865552 single protein format
CHEMBL153702 OBDepict CH 3 O N O N OH N IC50 = 25.0 nM 387.44 COc1cc2nc(-c3cccc(N4CCCC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL67346 OBDepict CH 3 O N H O N N O CH 3 IC50 = 25.0 nM 347.37 COc1cc(Nc2ncc(-c3ccccc3C)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL153429 OBDepict CH 3 O N O N OH N CH 3 N CH 3 IC50 = 26.0 nM 430.51 COc1cc2nc(-c3ccc(C)c(N4CCN(C)CC4)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL261978 OBDepict H 3 C O N H O N N O CH 3 IC50 = 27.0 nM 347.37 COc1cc(Nc2nc(C)c(-c3ccccc3)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL305374 OBDepict O N CH 3 N O O N N H Br O N IC50 = 28.0 nM 538.4 CN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Br)c2)o1 Homo sapiens CHEMBL698521 single protein format
CHEMBL64609 OBDepict CH 3 O HN O N O O IC50 = 28.0 nM 310.31 COc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1cnco1 Homo sapiens CHEMBL698521 single protein format
CHEMBL153247 OBDepict CH 3 O N O N OH HO IC50 = 28.0 nM 374.4 COc1cc2nc(-c3ccc4c(c3)C(O)CC4)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL699556 single protein format
CHEMBL230841 OBDepict O N H F CH 3 H 3 C N N H O IC50 = 29.0 nM 375.4 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccn1 Homo sapiens CHEMBL889231 single protein format
CHEMBL345992 OBDepict CH 3 O N O N OH CH 3 CH 3 IC50 = 29.0 nM 346.39 COc1cc2nc(-c3cc(C)ccc3C)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698781 single protein format
CHEMBL238461 OBDepict HO NH O CH 3 O OH H 3 C CH 3 O O Ki = 30.0 nM 335.36 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)NO)C(=O)OC2 Homo sapiens CHEMBL902634 single protein format
CHEMBL25179 OBDepict CH 3 O HN O N O HN O NH O O H O IC50 = 30.0 nM 480.48 COc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)O[C@@H]3CCOC3)c2)ccc1-c1cnco1 Homo sapiens CHEMBL698522 single protein format
CHEMBL25681 OBDepict H 3 C O NH O N O N H O H 3 C CH 3 IC50 = 30.0 nM 379.42 COc1cc(NC(=O)C(=O)NC(C)(C)c2ccccc2)ccc1-c1cnco1 Homo sapiens CHEMBL698522 single protein format
CHEMBL65826 OBDepict CH 3 O N H O N N O N H O CH 3 IC50 = 30.0 nM 390.4 COc1cc(Nc2ncc(-c3ccccc3NC(C)=O)o2)ccc1-c1cnco1 Homo sapiens CHEMBL697550 single protein format
CHEMBL23716 OBDepict CH 3 O N O H N O S IC50 = 30.0 nM 374.42 COc1cc2[nH]c(-c3csc4ccccc34)c(C=O)c2cc1-c1cnco1 Homo sapiens CHEMBL615266 single protein format
CHEMBL155616 OBDepict H 3 C O N O N OH + N CH 3 CH 3 H 3 C _ I IC50 = 30.0 nM 543.41 COc1cc2nc(-c3ccc4c(c3)C([N+](C)(C)C)CC4)cc(O)c2cc1-c1cnco1.[I-] Homo sapiens CHEMBL699556 single protein format