HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q99808 | S29A1_HUMAN | Equilibrative nucleoside transporter 1 (SLC29A1)

3D structures mapped by conservation among orthologs

[ Domain: "Major facilitator superfamily (MFS) general substrate transporter" // UNK_F_TYPE ]

download pymol session

[ Domain: "Major facilitator superfamily (MFS) general substrate transporter" // UNK_F_TYPE ]

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
CHEMBL418509 OBDepict HO H O H HO H N H HO N N N S + N O _ O IC50 = 0.3 nM 419.42 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL884285 single protein format
CHEMBL260570 OBDepict HO H O H HO H N H HO N N N N + N O _ O Ki = 0.45 nM 428.41 O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2 Homo sapiens CHEMBL752093 cell-based format
CHEMBL243304 OBDepict OH N N N OH N N N N N HO HO Ki = 0.49 nM 560.74 OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL610234 OBDepict OH H O H OH N H HO NH N N N S Ki = 0.64 nM 457.56 OC[C@H]1OC(n2c(NC3CCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL418509 OBDepict HO H O H HO H N H HO N N N S + N O _ O Ki = 0.7 nM 419.42 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL823109 cell-based format
CHEMBL242657 OBDepict OH N N N OH N N N N N HO HO Ki = 0.77 nM 588.8 OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL243096 OBDepict OH N N N HO N N N N N OH OH Ki = 0.86 nM 532.69 OCCN(CCO)c1nc(N2CCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL608795 OBDepict OH H O H OH N H HO NH N N N S Ki = 0.94 nM 471.58 OC[C@H]1OC(n2c(NC3CCCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL394171 OBDepict OH H O H OH H N H HO N N NH 2 N S + N O _ O Ki = 1.1 nM 434.43 Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL239246 OBDepict HO H O H HO H N H HO N N F N S + N O _ O Ki = 2.1 nM 437.41 O=[N+]([O-])c1ccc(CSc2nc(F)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL610047 OBDepict H 3 C N H N N N O N S H OH H H OH HO Ki = 2.3 nM 459.57 CCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL3353069 OBDepict CH 3 O O CH 3 O O O H 3 C N N O O O O H 3 C O CH 3 H 3 C IC50 = 2.8 nM 562.62 COc1cc(C(=O)OCCN2CCN(CCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC Homo sapiens CHEMBL3388115 cell-based format
CHEMBL607955 OBDepict OH H O H OH N H HO NH N N N S Ki = 3.0 nM 429.5 OC[C@H]1OC(n2c(NC3CC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL610236 OBDepict H 3 C H 3 C NH N N N O N S H OH H H OH HO Ki = 3.6 nM 459.57 CCC(C)CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL610235 OBDepict H 3 C NH N N N O N S H OH H H OH HO Ki = 3.7 nM 473.6 CCCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL512162 OBDepict OH H O H OH H N H HO N N N S I Ki = 3.88 nM 500.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL242027 OBDepict OH N N N O N N N N CH 3 H 3 C N O OH CH 3 CH 3 Ki = 4.3 nM 588.8 CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCOC(C)C)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL3353074 OBDepict CH 3 O O O H 3 C H 3 C O O N N O O O O CH 3 O H 3 C H 3 C IC50 = 4.6 nM 590.67 COc1cc(C(=O)OCCCN2CCCN(CCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC Homo sapiens CHEMBL3388115 cell-based format
CHEMBL609378 OBDepict H 3 C N H N N N O N S H OH H H OH HO Ki = 5.3 nM 431.52 CCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL608794 OBDepict CH 3 HN N N N O N S H HO H H HO OH Ki = 5.4 nM 445.55 CCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL243304 OBDepict OH N N N OH N N N N N HO HO IC50 = 8.67 nM 560.74 OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL932 OBDepict OH N N N OH N N N N N HO HO Ki = 8.79 nM 504.64 OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL823109 cell-based format
CHEMBL418496 OBDepict OH H O H OH H N H HO N N N S F Ki = 9.02 nM 392.41 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL609377 OBDepict H 3 C NH N N N O N S H OH H H OH HO Ki = 9.5 nM 417.49 CCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL430946 OBDepict OH H O H OH H N H HO N N N S Br Ki = 9.98 nM 453.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL239889 OBDepict HO H O H HO H N H HO N N Br N S + N O _ O Ki = 11.0 nM 498.32 O=[N+]([O-])c1ccc(CSc2nc(Br)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL393342 OBDepict HO H O H HO H N H HO N N I N S + N O _ O Ki = 11.0 nM 545.32 O=[N+]([O-])c1ccc(CSc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL239670 OBDepict HO H O H HO H N H HO N N Cl N S + N O _ O Ki = 11.0 nM 453.86 O=[N+]([O-])c1ccc(CSc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL517945 OBDepict OH H O H OH H N H HO N N N S F Ki = 11.21 nM 392.41 OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL242657 OBDepict OH N N N OH N N N N N HO HO IC50 = 13.6 nM 588.8 OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL473492 OBDepict OH H O H OH H N H HO N N N S I Ki = 13.79 nM 500.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL61387 OBDepict OH H O H OH H N H HO N N N S Cl Ki = 14.23 nM 408.87 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL389137 OBDepict HO N N N OH HN N N NH CH 3 CH 3 CH 3 N H 3 C H 3 C H 3 C HO HO Ki = 14.7 nM 508.67 CCC(C)(C)Nc1nc(N(CCO)CCO)nc2c(NC(C)(C)CC)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL261227 OBDepict OH H O H OH H N H OH N N N N + N O _ O Ki = 15.0 nM 428.41 O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2 Homo sapiens CHEMBL752093 cell-based format
CHEMBL243096 OBDepict OH N N N HO N N N N N OH OH IC50 = 15.2 nM 532.69 OCCN(CCO)c1nc(N2CCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL396717 OBDepict HO N N N HO N H N HN N N OH OH Ki = 15.8 nM 504.64 OCCN(CCO)c1nc(NC2CCCC2)c2nc(N(CCO)CCO)nc(NC3CCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL464810 OBDepict OH H O H OH H N H HO N N N S Cl Ki = 15.96 nM 408.87 OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL516202 OBDepict HO H O H HO H N H OH N N N S I Ki = 16.13 nM 500.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4I)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL395529 OBDepict HO N N N OH HN N N NH CH 3 CH 3 CH 3 N H 3 C H 3 C CH 3 HO HO Ki = 16.8 nM 480.61 CC(C)(C)Nc1nc(N(CCO)CCO)nc2c(NC(C)(C)C)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL438046 OBDepict _ O + N O N N N N N O H O H HO H H HO Ki = 18.89 nM 426.39 O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1nc1n3[C@@H]3O[C@H](CO1)[C@@H](O)[C@H]3O)CC2 Homo sapiens CHEMBL936365 cell-based format
CHEMBL60735 OBDepict HO H O H HO H N H OH N N N S F Ki = 19.87 nM 392.41 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4F)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL475104 OBDepict OH H O H OH H N H HO N N N S Br Ki = 20.54 nM 453.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL437946 OBDepict HO HN N N N N N N NH HO Ki = 21.2 nM 472.64 OCCNc1nc(N2CCCCCCC2)c2nc(NCCO)nc(N3CCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL391730 OBDepict H 3 C NH N N S N N H O H HO H H OH OH + N O _ O Ki = 24.0 nM 448.46 CNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL394012 OBDepict CH 3 HN N N S N N H O H OH H H HO HO + N O _ O Ki = 24.0 nM 462.49 CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL391838 OBDepict HO H O H HO H N H OH N N NH N S + N O _ O Ki = 25.0 nM 474.5 O=[N+]([O-])c1ccc(CSc2nc(NC3CC3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL609662 OBDepict H 3 C NH N N N O N S H OH H H OH OH Ki = 28.0 nM 403.46 CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL369726 OBDepict _ O + N O S N N N N HN Ki = 29.0 nM 460.56 O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(NC2CCCC2)n3Cc2ccccc2)cc1 Homo sapiens CHEMBL828999 cell membrane format
CHEMBL239454 OBDepict HO H O H OH H N H OH N N NH N S + N O _ O Ki = 33.0 nM 488.53 O=[N+]([O-])c1ccc(CSc2nc(NC3CCC3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL240101 OBDepict HO H O H HO H N H OH N N NH N S O H 3 C + N O _ O Ki = 34.0 nM 476.47 CC(=O)Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL429101 OBDepict HO HN N N N N N N NH HO Ki = 38.0 nM 500.69 OCCNc1nc(N2CCCCCCCC2)c2nc(NCCO)nc(N3CCCCCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL243119 OBDepict HO N N N OH HN N NH N H 3 C CH 3 N HO HO CH 3 H 3 C Ki = 38.0 nM 480.61 CC(C)CNc1nc(N(CCO)CCO)nc2c(NCC(C)C)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL364363 OBDepict HO N N N N S + N O _ O Ki = 39.0 nM 393.43 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2O)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL365723 OBDepict _ O + N O S N N N N F F F Ki = 39.0 nM 521.52 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL361422 OBDepict _ O + N O S N N N N N O Ki = 51.0 nM 462.54 O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(N2CCOCC2)n3Cc2ccccc2)cc1 Homo sapiens CHEMBL828999 cell membrane format
CHEMBL60662 OBDepict OH H O H OH H N H HO N N N S Ki = 53.0 nM 374.42 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL395264 OBDepict OH N N N OH N H N N H N N HO HO Ki = 53.1 nM 532.69 OCCN(CCO)c1nc(NC2CCCCC2)c2nc(N(CCO)CCO)nc(NC3CCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL178224 OBDepict _ O + N O S N N N N HN Ki = 55.0 nM 474.59 O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(NC2CCCCC2)n3Cc2ccccc2)cc1 Homo sapiens CHEMBL828999 cell membrane format
CHEMBL3353070 OBDepict CH 3 O O CH 3 O O O H 3 C N N O O O O CH 3 O H 3 C H 3 C IC50 = 66.1 nM 590.67 COc1cc(C(=O)OCCCN2CCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC Homo sapiens CHEMBL3388115 cell-based format
CHEMBL242027 OBDepict OH N N N O N N N N CH 3 H 3 C N O OH CH 3 CH 3 IC50 = 76.0 nM 588.8 CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCOC(C)C)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL239887 OBDepict OH HN N N S N N H O H OH H H HO HO + N O _ O Ki = 86.0 nM 478.49 O=[N+]([O-])c1ccc(CSc2nc(NCCO)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL184288 OBDepict _ O + N O S N N N N F F F Ki = 86.0 nM 521.52 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL187276 OBDepict _ O + N O S N N N N S Ki = 89.0 nM 459.56 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccsc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL183236 OBDepict CH 3 O N N N O N H 3 C N N N N O O CH 3 CH 3 Ki = 91.6 nM 560.74 COCCN(CCOC)c1nc(N2CCCCC2)c2nc(N(CCOC)CCOC)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL188884 OBDepict F N N N N S + N O _ O Ki = 93.0 nM 471.52 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL2113438 OBDepict H 3 C HN N N N H O N N H H OH H H HO OH Ki = 97.0 nM 392.46 CCCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL828999 cell membrane format
CHEMBL292374 OBDepict HO H O H HO H N H OH N N N S Cl Ki = 99.49 nM 408.87 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL242868 OBDepict HO N N N HO N N N N N OH OH Ki = 99.7 nM 476.58 OCCN(CCO)c1nc(N2CCCC2)c2nc(N(CCO)CCO)nc(N3CCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL185628 OBDepict CH 3 O N N N N S + N O _ O Ki = 104.0 nM 483.55 COc1ccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL242445 OBDepict HO N N N HO NH N NH N N OH OH Ki = 104.1 nM 476.58 OCCN(CCO)c1nc(NC2CCC2)c2nc(N(CCO)CCO)nc(NC3CCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL187355 OBDepict CH 3 O N N N N S + N O _ O Ki = 110.0 nM 407.46 COc1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 Homo sapiens CHEMBL839668 assay format
CHEMBL188915 OBDepict F N N N N S + N O _ O Ki = 111.0 nM 471.52 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2F)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL243548 OBDepict HO N N N OH HN N NH N N CH 3 CH 3 HO HO CH 3 H 3 C Ki = 120.7 nM 508.67 CC(C)CCNc1nc(N(CCO)CCO)nc2c(NCCC(C)C)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL189499 OBDepict H 2 N N N N N S + N O _ O Ki = 124.0 nM 392.44 Nc1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 Homo sapiens CHEMBL839668 assay format
CHEMBL393322 OBDepict HO H O H OH H N H OH N N N H N S + N O _ O Ki = 125.0 nM 502.55 O=[N+]([O-])c1ccc(CSc2nc(NC3CCCC3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL363278 OBDepict H 3 C N N N N S + N O _ O Ki = 126.0 nM 467.55 Cc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 Homo sapiens CHEMBL839668 assay format
CHEMBL188023 OBDepict _ O + N O S N N N N S Ki = 129.0 nM 459.56 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccs2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL366142 OBDepict I N N N N S + N O _ O Ki = 130.0 nM 503.33 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(I)cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL475103 OBDepict HO H O H HO H N H OH N N N S Br Ki = 134.23 nM 453.32 OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4Br)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL823109 cell-based format
CHEMBL362047 OBDepict _ O + N O S N N N N Ki = 135.0 nM 377.43 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2)cc1 Homo sapiens CHEMBL828999 cell membrane format
CHEMBL242893 OBDepict H 3 C NH N N N N OH OH N N HN OH OH CH 3 Ki = 136.0 nM 480.61 CCCCNc1nc(N(CCO)CCO)nc2c(NCCCC)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL395530 OBDepict HO N N N OH HN N NH N N HO HO CH 3 H 3 C Ki = 139.9 nM 508.67 CCCCCNc1nc(N(CCO)CCO)nc2c(NCCCCC)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL932 OBDepict OH N N N OH N N N N N HO HO IC50 = 144.8 nM 504.64 OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL429511 OBDepict OH H O H OH H N H HO N N N N Ki = 150.0 nM 383.41 OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL752093 cell-based format
CHEMBL186284 OBDepict HO N N N N S + N O _ O Ki = 153.0 nM 393.43 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(O)c2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL365194 OBDepict HO N N N N S + N O _ O Ki = 154.0 nM 469.53 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL242890 OBDepict HO N N N OH HN N NH N CH 3 CH 3 N CH 3 H 3 C HO HO Ki = 191.0 nM 452.56 CC(C)Nc1nc(N(CCO)CCO)nc2c(NC(C)C)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL239248 OBDepict H 3 C NH N N S N N H O H HO H H OH OH + N O _ O Ki = 193.0 nM 476.52 CCCNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL924283 cell-based format
CHEMBL243524 OBDepict OH N N N HO N N N N N HO HO Ki = 193.0 nM 556.71 OCCN(CCO)c1nc(N2C3CCCC2CC3)c2nc(N(CCO)CCO)nc(N3C4CCCC3CC4)c2n1 Homo sapiens CHEMBL894050 cell-based format
CHEMBL188604 OBDepict HO N N N N S + N O _ O Ki = 196.0 nM 469.53 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2O)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL371196 OBDepict HO N N N N S + N O _ O Ki = 196.0 nM 469.53 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccc(O)c2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL427341 OBDepict _ O + N O S N N N N + N O _ O Ki = 200.0 nM 422.43 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc([N+](=O)[O-])cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL365666 OBDepict Cl N N N N S + N O _ O Ki = 212.0 nM 411.87 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL242009 OBDepict HO N N N OH N CH 3 CH 3 N N N CH 3 CH 3 N HO HO Ki = 216.4 nM 480.61 CCN(CC)c1nc(N(CCO)CCO)nc2c(N(CC)CC)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL396716 OBDepict HO N N N OH N H 3 C CH 3 N N N CH 3 H 3 C N HO HO Ki = 216.7 nM 424.51 CN(C)c1nc(N(CCO)CCO)nc2c(N(C)C)nc(N(CCO)CCO)nc12 Homo sapiens CHEMBL894050 cell-based format
CHEMBL3353076 OBDepict CH 3 O O O H 3 C H 3 C O O N N IC50 = 217.0 nM 442.56 COc1cc(C(=O)OCCCN2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC Homo sapiens CHEMBL3388115 cell-based format
CHEMBL187143 OBDepict CH 3 O N N N N S + N O _ O Ki = 221.0 nM 483.55 COc1cccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)c1 Homo sapiens CHEMBL839668 assay format
CHEMBL187763 OBDepict H 3 C O N N N N S + N O _ O Ki = 225.0 nM 483.55 COc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 Homo sapiens CHEMBL839668 assay format
CHEMBL441851 OBDepict Cl N N N N S + N O _ O Ki = 236.0 nM 411.87 O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL839668 assay format
CHEMBL239888 OBDepict OH N N N OH S N N H O H OH H H HO HO + N O _ O Ki = 243.0 nM 522.54 O=[N+]([O-])c1ccc(CSc2nc(N(CCO)CCO)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL924283 cell-based format