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P37840 | SYUA_HUMAN | Alpha-synuclein (SNCA)

3D structures mapped by conservation among orthologs

[ Domain: "Alpha-synuclein" // Synuclein ]

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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
CHEMBL3593932 OBDepict F O N O + N O _ O Ki = 2.1 nM 444.46 O=C1/C(=CC=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593930 OBDepict CH 3 O O CH 3 N O + N O _ O Ki = 3.5 nM 442.47 COc1ccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC Homo sapiens CHEMBL3594881 assay format
CHEMBL3593928 OBDepict H 3 C O N O + N O _ O Ki = 3.8 nM 412.45 COc1cccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593911 OBDepict CH 3 N CH 3 O N + N O _ O Ki = 4.2 nM 425.49 CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593904 OBDepict O N H N N CH 3 H 3 C Ki = 11.5 nM 291.35 CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ncccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593926 OBDepict CH 3 O N O + N O _ O Ki = 12.9 nM 412.45 COc1ccc(CN2C(=O)/C(=CC=Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593922 OBDepict O N H + N O _ O Ki = 14.6 nM 292.29 O=C1Nc2ccccc2/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593924 OBDepict O N + N O _ O Ki = 25.0 nM 382.42 O=C1/C(=CC=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593915 OBDepict CH 3 O N N O N CH 3 CH 3 Ki = 29.8 nM 411.51 COc1ccc(CN2C(=O)/C(=CC=Cc3ccc(N(C)C)cc3)c3cccnc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063787 OBDepict CH 3 O S N H + N O _ O Ki = 32.1 nM 274.3 COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593903 OBDepict O N H N CH 3 H 3 C Ki = 40.7 nM 290.37 CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593909 OBDepict CH 3 N CH 3 O N Ki = 40.9 nM 380.49 CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593916 OBDepict NH 2 N O N CH 3 H 3 C Ki = 43.6 nM 395.51 CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccc(N)cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593918 OBDepict H 2 N O NH Ki = 44.8 nM 262.31 Nc1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593913 OBDepict H 3 C O N O O N CH 3 CH 3 Ki = 45.3 nM 362.43 CCOC(=O)N1C(=O)/C(=CC=Cc2ccc(N(C)C)cc2)c2ccccc21 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063797 OBDepict F O S N H + N O _ O Ki = 49.0 nM 306.32 O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593931 OBDepict CH 3 O O CH 3 N O + N O _ O Ki = 53.3 nM 442.47 COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC Homo sapiens CHEMBL3594881 assay format
CHEMBL3593905 OBDepict HO NH O N H 3 C H 3 C Ki = 54.0 nM 306.37 CN(C)c1ccc(/C=C/C=C2C(=O)Nc3ccc(O)cc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593910 OBDepict CH 3 O N O N CH 3 CH 3 Ki = 54.6 nM 410.52 COc1ccc(CN2C(=O)/C(=CC=Cc3ccc(N(C)C)cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063798 OBDepict I O S N H + N O _ O Ki = 57.9 nM 426.24 O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593902 OBDepict H 3 C O O NH Ki = 61.1 nM 277.32 COc1ccc(/C=C/C=C2C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593908 OBDepict O N CH 3 N CH 3 H 3 C Ki = 63.7 nM 304.39 CN(C)c1ccc(/C=C/C=C2C(=O)N(C)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593929 OBDepict H 3 C O N O + N O _ O Ki = 64.7 nM 412.45 COc1cccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593917 OBDepict H 3 C N H 3 C O N Ki = 68.1 nM 366.46 CN(C)c1ccc(/C=C/C=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593914 OBDepict O N N N CH 3 H 3 C Ki = 68.3 nM 381.48 CN(C)c1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ncccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593907 OBDepict CH 3 O O N Ki = 72.5 nM 367.45 COc1ccc(/C=C/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063788 OBDepict Br S N H + N O _ O Ki = 75.3 nM 323.17 O=[N+]([O-])c1ccc2c(c1)Sc1cc(Br)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593933 OBDepict F O N O + N O _ O Ki = 76.1 nM 444.46 O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593900 OBDepict H 3 C O N N O N CH 3 H 3 C Ki = 79.5 nM 385.47 COc1ccc(CN2C(=O)/C(=Cc3ccc(N(C)C)cc3)c3cccnc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593927 OBDepict CH 3 O N O + N O _ O Ki = 81.9 nM 412.45 COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL328710 OBDepict O N H N H 3 C CH 3 Ki = 84.4 nM 264.33 CN(C)c1ccc(/C=C2C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593912 OBDepict H 3 C N H 3 C O N N Ki = 92.0 nM 367.45 CN(C)c1ccc(/C=C/C=C2C(=O)N(c3ccncc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663947 OBDepict OH OH S HO HO Ki = 105.0 nM 300.34 Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL2063789 OBDepict I S N H + N O _ O Ki = 106.0 nM 370.17 O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593896 OBDepict CH 3 O N O N CH 3 CH 3 Ki = 114.5 nM 384.48 COc1ccc(CN2C(=O)/C(=Cc3ccc(N(C)C)cc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL1976750 OBDepict _ O + N O S N H Ki = 116.5 nM 244.28 O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL2063785 OBDepict CH 3 O S N H O H 3 C Ki = 121.8 nM 259.33 COc1ccc2c(c1)Sc1cc(OC)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3663941 OBDepict OH OH N N S HO HO Ki = 124.0 nM 302.31 Oc1ccc(-c2nsc(-c3ccc(O)c(O)c3)n2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593893 OBDepict O N H N N H 3 C CH 3 Ki = 124.3 nM 265.32 CN(C)c1ccc(/C=C2C(=O)Nc3ncccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063787 OBDepict CH 3 O S N H + N O _ O IC50 = 133.7 nM 274.3 COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3663950 OBDepict Br HO N S HO N OH OH Ki = 135.0 nM 381.21 Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3Br)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593895 OBDepict CH 3 N CH 3 O N Ki = 144.4 nM 354.45 CN(C)c1ccc(/C=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593897 OBDepict CH 3 N CH 3 O N N Ki = 149.8 nM 341.41 CN(C)c1ccc(/C=C2C(=O)N(c3ccncc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663958 OBDepict Br HO N S HO OH OH Ki = 177.0 nM 380.22 Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL986 OBDepict OH CH 3 CH 3 CH 3 H 3 C H 3 C IC50 = 190.0 nM 286.46 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 Homo sapiens CHEMBL4700552 single protein format
CHEMBL81379 OBDepict O CH 3 CH 3 CH 3 H 3 C H 3 C IC50 = 190.0 nM 284.44 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1 Homo sapiens CHEMBL4700552 single protein format
CHEMBL3593925 OBDepict O N + N O _ O Ki = 192.7 nM 382.42 O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063797 OBDepict F O S N H + N O _ O IC50 = 203.9 nM 306.32 O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3593901 OBDepict O N H Ki = 206.7 nM 247.3 O=C1Nc2ccccc2/C1=C/C=C/c1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL324842 OBDepict O O H O HO HO HO OH OH IC50 = 210.0 nM 360.32 O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O Homo sapiens CHEMBL4700552 single protein format
CHEMBL52 OBDepict CH 3 CH 3 HO HO HO OH IC50 = 210.0 nM 302.37 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Homo sapiens CHEMBL4700550 single protein format
CHEMBL3593923 OBDepict O N H + N O _ O Ki = 211.4 nM 292.29 O=C1Nc2ccccc2/C1=CC=Cc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663956 OBDepict CH 3 O OH N S N I HO HO Ki = 219.0 nM 442.23 COc1cc(-c2nnc(-c3cc(O)c(O)cc3I)s2)ccc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL164 OBDepict OH OH O O HO HO OH HO IC50 = 220.0 nM 318.24 O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL4700552 single protein format
CHEMBL140 OBDepict CH 3 O OH O O O HO H 3 C IC50 = 220.0 nM 368.39 COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O Homo sapiens CHEMBL4700552 single protein format
CHEMBL3663940 OBDepict Br HO S HO N OH OH Ki = 224.0 nM 380.22 Oc1ccc(-c2ncc(-c3cc(O)c(O)cc3Br)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593906 OBDepict O N Ki = 226.9 nM 337.42 O=C1/C(=CC=Cc2ccccc2)c2ccccc2N1Cc1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063798 OBDepict I O S N H + N O _ O IC50 = 241.3 nM 426.24 O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL4787961 OBDepict CH 3 H 3 C H 3 C H 3 C H 3 C CH 3 H 3 C H 3 C IC50 = 250.0 nM 508.83 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)CCCC1 Homo sapiens CHEMBL4700552 single protein format
CHEMBL972 OBDepict H N H 3 C H 3 C CH IC50 = 270.0 nM 187.29 C#CCN(C)[C@H](C)Cc1ccccc1 Homo sapiens CHEMBL4700553 single protein format
CHEMBL3663955 OBDepict OH OH N S N HO HO Ki = 270.0 nM 302.31 Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663942 OBDepict OH OH S HO HO HO Ki = 283.0 nM 316.33 Oc1ccc(-c2ccc(-c3cc(O)c(O)c(O)c3)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593252 OBDepict CH 3 N CH 3 O N Ki = 290.2 nM 340.43 CN(C)c1ccc(/C=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063788 OBDepict Br S N H + N O _ O IC50 = 313.8 nM 323.17 O=[N+]([O-])c1ccc2c(c1)Sc1cc(Br)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3663959 OBDepict CH 3 O O O N S O H 3 C N I O O O H 3 C O CH 3 Ki = 330.0 nM 596.36 CC(=O)Oc1ccc(-c2nnc(-c3cc(OC(C)=O)c(OC(C)=O)cc3I)s2)cc1OC(C)=O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663957 OBDepict OH OH S HO I HO Ki = 330.0 nM 426.23 Oc1ccc(-c2ccc(-c3cc(O)c(O)c(I)c3)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593898 OBDepict CH 3 O N O O N H 3 C CH 3 Ki = 342.6 nM 336.39 CCOC(=O)N1C(=O)/C(=Cc2ccc(N(C)C)cc2)c2ccccc21 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063786 OBDepict CH 3 O S N H N Ki = 346.0 nM 254.31 COc1ccc2c(c1)Sc1cc(C#N)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL201986 OBDepict O N H + N O _ O Ki = 347.2 nM 266.26 O=C1Nc2ccccc2/C1=C/c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3593899 OBDepict O N N N CH 3 CH 3 Ki = 350.2 nM 355.44 CN(C)c1ccc(/C=C2C(=O)N(Cc3ccccc3)c3ncccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663946 OBDepict OH HO N O HO N OH OH Ki = 370.0 nM 302.24 Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3O)o2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593894 OBDepict OH N H O N H 3 C CH 3 Ki = 407.1 nM 280.33 CN(C)c1ccc(/C=C2C(=O)Nc3ccc(O)cc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL2063789 OBDepict I S N H + N O _ O IC50 = 441.5 nM 370.17 O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3663951 OBDepict OH OH N O N HO HO Ki = 466.0 nM 286.24 Oc1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593920 OBDepict O N + N O _ O Ki = 482.9 nM 356.38 O=C1/C(=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL1976750 OBDepict _ O + N O S N H IC50 = 485.0 nM 244.28 O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL3663949 OBDepict Br S OH OH Ki = 506.0 nM 271.13 Oc1ccc(-c2ccc(Br)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL2063785 OBDepict CH 3 O S N H O H 3 C IC50 = 507.1 nM 259.33 COc1ccc2c(c1)Sc1cc(OC)ccc1N2 Homo sapiens CHEMBL2065090 cell-based format
CHEMBL86921 OBDepict O N H 3 C N CH 3 CH 3 Ki = 507.6 nM 278.36 CN(C)c1ccc(/C=C2C(=O)N(C)c3ccccc32)cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL59 OBDepict H 2 N OH OH IC50 = 530.0 nM 153.18 NCCc1ccc(O)c(O)c1 Homo sapiens CHEMBL4700553 single protein format
CHEMBL3593919 OBDepict O N H + N O _ O Ki = 621.8 nM 266.26 O=C1Nc2ccccc2/C1=Cc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663960 OBDepict Br HO N O HO OH OH Ki = 639.0 nM 364.15 Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)o2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663954 OBDepict OH OH O N HO HO Ki = 659.0 nM 285.25 Oc1ccc(-c2cnc(-c3ccc(O)c(O)c3)o2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663952 OBDepict OH OH N N N HO HO Ki = 697.0 nM 285.26 Oc1ccc(-c2cn(-c3ccc(O)c(O)c3)nn2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663938 OBDepict Br S HO OH HO OH Ki = 697.0 nM 379.23 Oc1ccc(-c2cc(Br)c(-c3ccc(O)c(O)c3)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL32749 OBDepict CH 3 O OH O OH IC50 = 750.0 nM 194.19 COc1cc(/C=C/C(=O)O)ccc1O Homo sapiens CHEMBL4700552 single protein format
CHEMBL3663953 OBDepict Br S N OH OH Ki = 765.0 nM 272.12 Oc1ccc(-c2ncc(Br)s2)cc1O Homo sapiens CHEMBL3705898 single protein format
CHEMBL583912 OBDepict OH O OH H H HO HO HO IC50 = 800.0 nM 290.27 Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 Homo sapiens CHEMBL4700552 single protein format
CHEMBL3663944 OBDepict O N H Br OH OH HO HO Ki = 813.0 nM 340.13 O=C(Nc1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br Homo sapiens CHEMBL3705898 single protein format
CHEMBL3663964 OBDepict O OH OH Br HO HO Ki = 890.0 nM 351.15 O=C(/C=C/c1cc(O)c(O)cc1Br)c1ccc(O)c(O)c1 Homo sapiens CHEMBL3705898 single protein format
CHEMBL3593921 OBDepict O N + N O _ O Ki = 959.3 nM 356.38 O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 Homo sapiens CHEMBL3594881 assay format
CHEMBL3663961 OBDepict OH OH + N O _ O + N OH O _ O HO Ki = 970.0 nM 322.23 O=[N+]([O-])c1cc(O)c(O)cc1Cc1cc(O)c(O)cc1[N+](=O)[O-] Homo sapiens CHEMBL3705898 single protein format
CHEMBL4641523 OBDepict OH N H O N H O HO OH OH IC50 = 980.0 nM 380.36 O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(O)cc1 Homo sapiens CHEMBL4625545 single protein format