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Q96C86 | DCPS_HUMAN | m7GpppX diphosphatase (DCPS)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4465809 OBDepict H 2 N N N NH 2 O S O O F IC50 < 0.02 nM 348.36 Nc1nc(N)c2c(OCc3ccc(S(=O)(=O)F)cc3)cccc2n1 Homo sapiens CHEMBL4351061 single protein format
CHEMBL251906 OBDepict NH 2 N N NH 2 O F IC50 = 0.02 nM 284.29 Nc1nc(N)c2c(COc3ccccc3F)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL251428 OBDepict F F O NH 2 N N NH 2 IC50 = 0.02 nM 302.28 Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4080254 OBDepict NH 2 N N H 2 N O N IC50 = 0.03 nM 363.47 Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4082618 OBDepict NH 2 N N H 2 N O N F Cl IC50 = 0.04 nM 415.9 Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL255019 OBDepict Cl O H 2 N N N NH 2 IC50 = 0.05 nM 300.75 Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4072132 OBDepict NH 2 N N NH 2 O N Cl Cl IC50 = 0.069 nM 432.36 Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL250072 OBDepict NH 2 N N H 2 N O N Cl IC50 = 0.11 nM 397.91 Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4077061 OBDepict N O F NH 2 N N H 2 N IC50 = 0.11 nM 309.3 N#Cc1cc(F)cc(OCc2cccc3nc(N)nc(N)c23)c1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL398675 OBDepict F F O NH 2 N N H 2 N IC50 = 0.19 nM 302.28 Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4062544 OBDepict F O H 2 N N N NH 2 IC50 = 0.25 nM 284.29 Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4061457 OBDepict NH 2 N N H 2 N O CH 3 N IC50 = 0.27 nM 281.32 Cc1ncccc1OCc1cccc2nc(N)nc(N)c12 Homo sapiens CHEMBL4010335 single protein format
CHEMBL399673 OBDepict NH 2 N N NH 2 O Cl IC50 = 0.29 nM 300.75 Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4076514 OBDepict NH 2 N N H 2 N O N Cl Cl IC50 = 0.32 nM 432.36 Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL342595 OBDepict NH 2 N N H 2 N O IC50 = 1.01 nM 266.3 Nc1nc(N)c2c(OCc3ccccc3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4103454 OBDepict NH 2 N N NH 2 O N O F F F IC50 = 1.39 nM 447.46 Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4068466 OBDepict NH 2 N N NH 2 O O IC50 = 1.77 nM 274.32 Nc1nc(N)c2c(OCC3CCOCC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4072481 OBDepict NH 2 N N NH 2 O O IC50 = 2.3 nM 274.32 Nc1nc(N)c2c(COC3CCOCC3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL250231 OBDepict Cl O H 2 N N N NH 2 IC50 = 2.89 nM 300.75 Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL251429 OBDepict NH 2 N N H 2 N O N F IC50 = 7.62 nM 381.45 Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL343543 OBDepict CH 3 O NH 2 N N H 2 N IC50 = 7.9 nM 190.21 COc1cccc2nc(N)nc(N)c12 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4086727 OBDepict H 2 N N N NH 2 O N N N H 3 C IC50 = 9.38 nM 367.46 Cn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL4075292 OBDepict NH 2 N N H 2 N O CH 3 O IC50 = 10.55 nM 260.3 CC1(COc2cccc3nc(N)nc(N)c23)COC1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4100442 OBDepict CH 3 O N H 2 N N NH 2 N F IC50 = 12.31 nM 395.48 Cc1cc(OCC2CCN(Cc3ccccc3F)CC2)c2c(N)nc(N)nc2c1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4084161 OBDepict H 3 C O O H 3 C H NH 2 N N NH 2 IC50 = 13.59 nM 248.29 COC[C@H](C)Oc1cccc2nc(N)nc(N)c12 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4090641 OBDepict H 3 C O O H 3 C H NH 2 N N NH 2 IC50 = 16.2 nM 248.29 COC[C@@H](C)Oc1cccc2nc(N)nc(N)c12 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4078872 OBDepict NH 2 N N NH 2 O N F F F IC50 = 23.35 nM 355.36 Nc1nc(N)c2c(OCC3CCN(CC(F)(F)F)CC3)cccc2n1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL1232147 OBDepict NH 2 N N H 2 N O N Cl Cl IC50 = 43.94 nM 432.36 Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL4096904 OBDepict NH 2 N N NH 2 O N Cl IC50 = 101.34 nM 383.88 Nc1nc(N)c2c(OCC3CCN(c4ccccc4Cl)CC3)cccc2n1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL268354 OBDepict NH 2 N N NH 2 IC50 = 142.58 nM 160.18 Nc1nc(N)c2ccccc2n1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4093512 OBDepict CH 3 O N H 2 N N NH 2 N Cl Cl IC50 = 334.3 nM 446.38 Cc1cc(OCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c2c(N)nc(N)nc2c1 Homo sapiens CHEMBL4010335 single protein format
CHEMBL4090759 OBDepict CH 3 N H O S N N O NH 2 N N NH 2 IC50 = 339.45 nM 427.53 CC(=O)Nc1nc(CN2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cs1 Homo sapiens CHEMBL3992399 single protein format
CHEMBL1094974 OBDepict H N NH 2 N O + N N H 3 C H O H HO H H OH O P O O _ O P O OH OH Ki = 680.0 nM 457.23 C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 Homo sapiens CHEMBL4623588 single protein format
CHEMBL4640985 OBDepict NH 2 N N _ O N + N H 3 C H O H HO H H HO O P O O SH P O HO OH Ki = 870.0 nM 473.3 C[n+]1cn([C@@H]2O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)nc([O-])c21 Homo sapiens CHEMBL4623588 single protein format