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P22413 | ENPP1_HUMAN | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (ENPP1)

3D structures mapped by conservation among orthologs

[ Domain: "Somatomedin B domain" // Somatomedin_B ]

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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
CHEMBL3289393 OBDepict NH 2 N N N N H O H HO H H HO O P O S OH P O OH P O HO HO Ki = -71500.0 nM 521.28 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3293572 single protein format
CHEMBL3360892 OBDepict H 3 C O O N H H 3 C O S N N H N NH 2 N Ki = 5.0 nM 360.4 COc1ccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL3289396 OBDepict NH 2 N N N N H O H OH H H HO O P O OH P O O HO P S OH HO Ki = 20.0 nM 521.28 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3293571 single protein format
CHEMBL3360893 OBDepict H 3 C O O N H H 3 C O S N N H N O N H Ki = 20.0 nM 361.38 COc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL3360884 OBDepict H 3 C O N N N H S N H O O O CH 3 CH 3 Ki = 29.6 nM 374.42 COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1 Homo sapiens CHEMBL3384854 single protein format
CHEMBL3360901 OBDepict CH 3 O O N H CH 3 O S N N H N O N H H O Ki = 35.8 nM 377.38 COc1ccc(NC(=O)CSc2nc3c(=O)[nH]c(=O)[nH]c3[nH]2)cc1OC Homo sapiens CHEMBL3384852 single protein format
CHEMBL3360878 OBDepict H 3 C O O N H H 3 C O S N N H N Ki = 44.2 nM 344.4 COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL1783614 OBDepict H 3 C O O CH 3 N N N N N H S O O NH 2 Ki = 58.0 nM 498.61 COc1cc2nc(/C=C/c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL1783609 OBDepict CH 3 O O CH 3 N N N HN S O O H 2 N Ki = 59.0 nM 395.49 COc1cc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL3815649 cell-based format
CHEMBL4160816 OBDepict H 3 C O O CH 3 N N N N N H S O O NH 2 Ki = 71.0 nM 498.61 COc1cc2nc(/C=C/c3ccccn3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4163119 OBDepict CH 3 O O H 3 C N N N O O NH S O O H 2 N Ki = 90.0 nM 541.63 COc1cc2nc(CC3OC(=O)c4ccccc43)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4163923 OBDepict H 3 C O O CH 3 N N N N H O S H 3 C O O NH 2 Ki = 101.0 nM 527.65 COc1cccc(/C=C/c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Homo sapiens CHEMBL4148480 cell-based format
CHEMBL3360885 OBDepict H 3 C O O N H H 3 C O S N N H N CH 3 Ki = 127.0 nM 358.42 COc1ccc(NC(=O)CSc2nc3c(C)ccnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL3360880 OBDepict H 3 C O O N H H 3 C O S N N H N N Ki = 131.0 nM 345.38 COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL3360882 OBDepict H 3 C O O N H H 3 C O S N N H N Cl Ki = 137.0 nM 378.84 COc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL4747297 OBDepict CH 3 O O N IC50 = 150.0 nM 391.47 CCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1 Homo sapiens CHEMBL4710183 cell membrane format
CHEMBL3360899 OBDepict H 3 C O O N H H 3 C O S N N H N NH 2 N S CH 3 Ki = 152.0 nM 406.49 COc1ccc(NC(=O)CSc2nc3c(N)nc(SC)nc3[nH]2)cc1OC Homo sapiens CHEMBL3384852 single protein format
CHEMBL4169839 OBDepict F F F N IC50 = 180.0 nM 425.45 FC(F)(F)c1nc2c(-c3ccccc3)cccc2c(-c2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL4131382 assay format
CHEMBL4878720 OBDepict CH 3 O Cl N N N N H S O O CH 3 IC50 = 180.0 nM 531.04 COc1ccc(-c2nn(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2-c2ccncc2)cc1Cl Homo sapiens CHEMBL4817260 cell-based format
CHEMBL3360883 OBDepict H 3 C O O N H H 3 C O S N N H N Br Ki = 192.0 nM 423.29 COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL4174875 OBDepict H 3 C O O CH 3 N N N F N H S O O NH 2 Ki = 211.0 nM 515.61 COc1cc2nc(/C=C/c3ccccc3F)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL1433061 OBDepict CH 3 O O CH 3 N H O S N N N H Ki = 217.0 nM 344.4 COc1ccc(NC(=O)CSc2nc3ccc[nH]c-3n2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL4164216 OBDepict H 3 C O O CH 3 N N N N H N S O O NH 2 Ki = 218.0 nM 498.61 COc1cc2nc(/C=C/c3ccncc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4166272 OBDepict CH 3 O N N N O H 3 C O H 3 C N H S O O NH 2 Ki = 231.0 nM 527.65 COc1ccc(/C=C/c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)cc1 Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4218881 OBDepict O N H N O H O H HO H H HO O P O S SH P O O OH P O OH HO Ki = 240.0 nM 516.28 O=c1ccn([C@@H]2O[C@H](COP(=S)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 Homo sapiens CHEMBL4183888 single protein format
CHEMBL4162412 OBDepict CH 3 O N N N HN S O O H 2 N Ki = 242.0 nM 365.46 COc1ccc2ncnc(N3CCC(CCNS(N)(=O)=O)CC3)c2c1 Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4162261 OBDepict CH 3 O O N CH 3 Cl Br F F F IC50 = 250.0 nM 446.65 COc1ccc(OC)c(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)c1 Homo sapiens CHEMBL4131382 assay format
CHEMBL3360879 OBDepict H 3 C O O N H H 3 C O S N N H N N Ki = 281.0 nM 345.38 COc1ccc(NC(=O)CSc2nc3cncnc3[nH]2)cc1OC Homo sapiens CHEMBL3384854 single protein format
CHEMBL4159456 OBDepict CH 3 O O N N N O H 3 C O CH 3 N H S O O NH 2 Ki = 297.0 nM 555.66 COC(=O)c1cccc(/C=C/c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4174575 OBDepict H 3 C O O CH 3 N N N O N H H 3 C S O O NH 2 Ki = 302.0 nM 527.65 COc1ccccc1/C=C/c1nc(N2CCC(CCNS(N)(=O)=O)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4172790 OBDepict Cl Br N F F F F F F IC50 = 310.0 nM 454.6 FC(F)(F)c1ccc(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)cc1 Homo sapiens CHEMBL4131382 assay format
CHEMBL4284270 OBDepict CH 3 CH 3 S N N N O H 3 C F IC50 = 310.0 nM 289.34 Cc1cc(C)cc(-c2nn3c(=O)c(F)c(C)nc3s2)c1 Homo sapiens CHEMBL4262219 assay format
CHEMBL4164891 OBDepict N N Cl Br F F F IC50 = 350.0 nM 411.61 N#Cc1cccc(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)c1 Homo sapiens CHEMBL4131382 assay format
CHEMBL4292174 OBDepict CH 3 O O CH 3 N N CH 3 H 3 C IC50 = 360.0 nM 420.51 COc1cc2cc(-n3cc(C)c4ccccc43)n3c4ccccc4c(C)c3c2cc1OC Homo sapiens CHEMBL4262222 cell-based format
CHEMBL4171038 OBDepict H 3 C O O CH 3 N N N N H S F O O NH 2 Ki = 366.0 nM 517.63 COc1cc2nc(CCc3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4467712 OBDepict O NH O S O O F F F IC50 = 387.0 nM 427.44 O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1 Homo sapiens CHEMBL4342160 assay format
CHEMBL4172933 OBDepict CH 3 O N Cl Br F F F IC50 = 390.0 nM 416.62 COc1ccc(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)cc1 Homo sapiens CHEMBL4131382 assay format
CHEMBL3289396 OBDepict NH 2 N N N N H O H OH H H HO O P O OH P O O HO P S OH HO IC50 = 390.0 nM 521.28 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3293571 single protein format
CHEMBL4793019 OBDepict CH 3 N O IC50 = 420.0 nM 311.38 Cc1ccccc1-c1ccc(-c2coc(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4710183 cell membrane format
CHEMBL4451311 OBDepict O HN O S O O CH 3 IC50 = 422.0 nM 387.5 Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCCC3)cc2)cc1 Homo sapiens CHEMBL4342160 assay format
CHEMBL4519236 OBDepict O NH O S O O F F F IC50 = 431.0 nM 441.47 O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CCCCCC1 Homo sapiens CHEMBL4342160 assay format
CHEMBL4159758 OBDepict H 3 C O O CH 3 N N N N H S F O O NH 2 Ki = 465.0 nM 515.61 COc1cc2nc(/C=C/c3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL3813806 OBDepict I O S O N N H Ki = 467.0 nM 394.19 O=c1/c(=C/c2ccc(I)o2)sc2nc3ccccc3n12 Homo sapiens CHEMBL3815624 cell-based format
CHEMBL4164185 OBDepict F N F F F F F IC50 = 510.0 nM 479.42 Fc1ccc(-c2c(C(F)(F)F)nc3c(-c4ccc(F)cc4)cccc3c2-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL4131382 assay format
CHEMBL4585698 OBDepict O NH O S O O F IC50 = 564.0 nM 377.44 O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1 Homo sapiens CHEMBL4342160 assay format
CHEMBL3289394 OBDepict NH 2 N N N N H O H OH H H HO O P O S OH P O HO P Cl Cl O OH OH IC50 = 600.0 nM 590.17 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3293571 single protein format
CHEMBL3814399 OBDepict Br O S O N N H Ki = 610.0 nM 347.19 O=c1/c(=C/c2ccc(Br)o2)sc2nc3ccccc3n12 Homo sapiens CHEMBL3815624 cell-based format
CHEMBL4175913 OBDepict O Br N Br H F F F IC50 = 630.0 nM 370.95 O=c1c(Br)c(C(F)(F)F)[nH]c2c(Br)cccc12 Homo sapiens CHEMBL4131382 assay format
CHEMBL3289394 OBDepict NH 2 N N N N H O H OH H H HO O P O S OH P O HO P Cl Cl O OH OH Ki = 685.0 nM 590.17 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](O)(=S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3293571 single protein format
CHEMBL4168465 OBDepict NH 2 N N N O CH 3 O CH 3 Ki = 699.0 nM 316.41 COc1cc2ncnc(N3CCC(CCN)CC3)c2cc1OC Homo sapiens CHEMBL4148480 cell-based format
CHEMBL4173693 OBDepict CH 3 N F F F CH 3 H 3 C IC50 = 730.0 nM 467.53 Cc1ccc(-c2c(C(F)(F)F)nc3c(-c4ccc(C)cc4)cccc3c2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL4131382 assay format
CHEMBL4465876 OBDepict O N H N O O O P O S SH P O OH P Cl Cl O OH HO Ki = 730.0 nM 525.16 O=c1ccn(COCCOP(=S)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)c(=O)[nH]1 Homo sapiens CHEMBL4315025 cell-based format
CHEMBL4875454 OBDepict _ O + N O S HN O O N O N IC50 = 800.0 nM 346.32 O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)n1ccc2cccnc21 Homo sapiens CHEMBL4817262 cell-based format
CHEMBL4443638 OBDepict O N H N O O O P O S SH P O OH P O OH HO Ki = 940.0 nM 456.27 O=c1ccn(COCCOP(=S)(S)OP(=O)(O)CP(=O)(O)O)c(=O)[nH]1 Homo sapiens CHEMBL4315025 cell-based format
CHEMBL4467551 OBDepict Cl NH O O S O O H 3 C CH 3 CH 3 H 3 C H 3 C H 3 C IC50 = 975.0 nM 514.09 CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C(C)C)c1 Homo sapiens CHEMBL4342160 assay format
CHEMBL2006050 OBDepict O N S NH O Ki = 981.0 nM 268.3 O=c1/c(=C/c2ccco2)sc2nc3ccccc3n12 Homo sapiens CHEMBL3815624 cell-based format