HOME LIGAND hPROTEOME OTHERS DOCUMENT

O95749 | GGPPS_HUMAN | Geranylgeranyl pyrophosphate synthase (GGPS1)

3D structures mapped by conservation among orthologs

[ Domain: "Terpenoid synthases" // polyprenyl_synt ]

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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
CHEMBL262616 OBDepict OH P O OH P OH O HO OH Ki = 20.0 nM 434.32 O=P(O)(O)C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL4472025 OBDepict F N H O N N N H S P P O OH HO O HO OH IC50 = 42.0 nM 538.39 O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccc(F)cc1 Homo sapiens CHEMBL4382905 assay format
CHEMBL3775876 OBDepict H 3 C N CH 3 H 3 C N N P P O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 45.0 nM 495.27 CC(C)=CCC/C(C)=C/CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL3777120 single protein format
CHEMBL4465832 OBDepict O HN N N N H S P P O OH HO O HO OH IC50 = 49.0 nM 520.4 O=C(Nc1ccccc1)c1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1 Homo sapiens CHEMBL4382905 assay format
CHEMBL213490 OBDepict OH P P O OH OH O OH HO Ki = 60.0 nM 434.32 O=P(O)(O)C(O)(Cc1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL4455060 OBDepict O N H N N N H S P P O OH HO O HO OH IC50 = 64.0 nM 520.4 O=C(Nc1cccc(-c2nc(NC(P(=O)(O)O)P(=O)(O)O)c3ccsc3n2)c1)c1ccccc1 Homo sapiens CHEMBL4382905 assay format
CHEMBL259026 OBDepict OH P O OH P OH O OH HO N H S O O Ki = 70.0 nM 563.46 O=P(O)(O)C(O)(Cc1cccc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL4754754 OBDepict H 3 C CH 3 H 3 C N N N P P OH O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 75.0 nM 511.27 CC(C)=CCC/C(C)=CCCc1cn(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4737813 assay format
CHEMBL4538679 OBDepict CH 3 O NH O N N N H S P P O OH HO O HO OH IC50 = 75.0 nM 550.43 COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1 Homo sapiens CHEMBL4382905 assay format
CHEMBL4203457 OBDepict H 3 C N CH 3 H 3 C N N P P O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 75.0 nM 495.27 CC(C)=CCC/C(C)=CCCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4182960 single protein format
CHEMBL2347859 OBDepict OH P O OH P N H O HO HO N N S IC50 = 82.0 nM 401.28 O=P(O)(O)C(Nc1nc(-c2ccccc2)nc2sccc12)P(=O)(O)O Homo sapiens CHEMBL4382905 assay format
CHEMBL4564934 OBDepict CH 3 O N H O N N N H S P P O OH HO O HO OH IC50 = 85.0 nM 550.43 COc1ccc(C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1 Homo sapiens CHEMBL4382905 assay format
CHEMBL4204129 OBDepict H 3 C N CH 3 H 3 C N N P P CH 3 O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 86.0 nM 509.3 CC(C)=CCC/C(C)=CCCn1cc(CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4182960 single protein format
CHEMBL4577077 OBDepict CH 3 O F NH O N N N H S P P O OH HO O HO OH IC50 = 86.0 nM 568.42 COc1ccc(NC(=O)c2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1F Homo sapiens CHEMBL4382905 assay format
CHEMBL2347861 OBDepict HO P O OH P N H O OH HO N N S IC50 = 94.0 nM 401.28 O=P(O)(O)C(Nc1ncnc2sc(-c3ccccc3)cc12)P(=O)(O)O Homo sapiens CHEMBL4382905 assay format
CHEMBL291314 OBDepict H 3 C + P CH 3 CH 3 P P O OH OH O OH _ O IC50 = 100.0 nM 418.39 CCCCCCCCCCCC[P+](C)(C)CC(P(=O)([O-])O)P(=O)(O)O Homo sapiens CHEMBL1028089 single protein format
CHEMBL4471037 OBDepict CH 3 N H O N N N H S P P O OH HO O HO OH IC50 = 100.0 nM 534.43 Cc1ccc(C(=O)Nc2cccc(-c3nc(NC(P(=O)(O)O)P(=O)(O)O)c4ccsc4n3)c2)cc1 Homo sapiens CHEMBL4382905 assay format
CHEMBL4208809 OBDepict H 3 C N CH 3 H 3 C N N P P CH 3 O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 100.0 nM 509.3 CC(C)=CCC/C(C)=C/CCn1cc(CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4182960 single protein format
CHEMBL86513 OBDepict CH 3 CH 3 H 3 C CH 3 P P O OH HO O HO OH IC50 = 100.0 nM 380.36 CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL260880 OBDepict OH P O OH P OH O OH HO O Ki = 110.0 nM 450.32 O=P(O)(O)C(O)(COc1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL411274 OBDepict OH P O OH P HO O OH HO O Ki = 110.0 nM 448.3 O=P(O)(O)C(O)(Cc1cccc(-c2cccc3c2oc2ccccc23)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL71360 OBDepict H 3 C N O P H 3 C O O OH P O OH HO CH 3 H 3 C CH 3 IC50 = 140.0 nM 453.45 CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCOP(=O)(O)OP(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL4759010 OBDepict H 3 C CH 3 H 3 C N N N P P OH O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 173.0 nM 511.27 CC(C)=CCC/C(C)=C/CCc1cn(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4737813 assay format
CHEMBL258994 OBDepict CH 3 P P O OH HO O HO OH CH 3 CH 3 H 3 C CH 3 H 3 C IC50 = 200.0 nM 448.48 CC(C)=CCC/C(C)=C/CC(C/C=C(C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL192017 OBDepict _ O P O OH P OH O OH HO + N Ki = 230.0 nM 435.31 O=P([O-])(O)C(O)(C[n+]1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O Homo sapiens CHEMBL938426 single protein format
CHEMBL1254000 OBDepict CH 3 P P O _ O _ O O _ O _ O CH 3 H 3 C CH 3 H 3 C + Na + Na + Na + Na IC50 = 250.0 nM 558.41 CC(C)=CCC/C(C)=C/CC(Cc1cccc(CC=C(C)C)c1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL1250632 assay format
CHEMBL4471147 OBDepict CH 3 P P O OH _ O O _ O _ O CH 3 CH 3 CH 3 CH 3 H 3 C + Na + Na + Na + Na IC50 = 260.0 nM 537.41 CC(C)=CCC/C(C)=C/CC(C/C=C(C)CCC=C(C)C)(P(=O)([O-])[O-])P(=O)([O-])O.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4307542 cell-based format
CHEMBL494694 OBDepict H 3 C O + N CH 3 P P O OH OH O HO _ O IC50 = 280.0 nM 437.41 CCCCCCCCCCOc1cc(CC(P(=O)([O-])O)P(=O)(O)O)c[n+](C)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL494897 OBDepict H 3 C O + N P P O OH OH O HO _ O IC50 = 280.0 nM 423.38 CCCCCCCCCCOc1ccc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL410064 OBDepict CH 3 P P O OH HO O HO OH CH 3 CH 3 H 3 C CH 3 CH 3 CH 3 IC50 = 300.0 nM 516.6 CC(C)=CCC/C(C)=C/CC/C(C)=CCC(C/C=C(C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL419627 OBDepict CH 3 N O CH 3 P O O OH P O HO OH CH 3 H 3 C IC50 = 310.0 nM 399.36 CC(C)=CCC/C(C)=C/CCN(C)CCCOP(=O)(O)OP(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL494896 OBDepict CH 3 N H 3 C P P O OH HO O HO OH IC50 = 350.0 nM 387.39 CCCCCCCCCCCCN(C)CC(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL1028089 single protein format
CHEMBL67986 OBDepict CH 3 N O CH 3 P O O OH P O HO OH CH 3 CH 3 H 3 C IC50 = 370.0 nM 467.48 CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCCOP(=O)(O)OP(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL3262352 OBDepict CH 3 N N N H 3 C CH 3 P P O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 380.0 nM 481.25 CC(C)=CCC/C(C)=CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL3268702 single protein format
CHEMBL3775694 OBDepict CH 3 P P O _ O _ O O _ O _ O N N N CH 3 H 3 C CH 3 H 3 C + Na + Na + Na + Na IC50 = 380.0 nM 563.39 CC(C)=CCC/C(C)=C/CC(Cc1cn(CCC=C(C)C)nn1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL3777120 single protein format
CHEMBL494898 OBDepict CH 3 + N P P O OH HO O HO _ O IC50 = 400.0 nM 407.38 CCCCCCCCCCc1ccc[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL3775345 OBDepict CH 3 H 3 C N N N P P O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 430.0 nM 427.15 CC(C)=CCCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL3777120 single protein format
CHEMBL522337 OBDepict H 3 C O + N Br P P O OH OH O HO _ O IC50 = 510.0 nM 502.28 CCCCCCCCCCOc1cc(Br)c[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL493443 OBDepict H 3 C O P P OH O OH HO O HO OH IC50 = 590.0 nM 438.39 CCCCCCCCCCOc1cccc(CC(O)(P(=O)(O)O)P(=O)(O)O)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL429860 OBDepict CH 3 CH 3 H 3 C CH 3 P P O OH HO O HO OH IC50 = 600.0 nM 380.36 CC(C)=CCC/C(C)=CCC/C(C)=C/CC(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL939915 assay format
CHEMBL408792 OBDepict CH 3 H 3 C CH 3 CH 3 P P O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 600.0 nM 468.29 C/C=C(C)CC/C=C(/C)CC/C=C(C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL922066 assay format
CHEMBL495485 OBDepict H 3 C + N P P O OH OH O HO _ O IC50 = 660.0 nM 379.33 CCCCCCCCc1cc[n+](CC(P(=O)([O-])O)P(=O)(O)O)cc1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL4476604 OBDepict OH H 3 C H 3 C N N N P P CH 3 O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 670.0 nM 525.3 C/C(=C/CCn1cc(CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1)CC/C=C(C)CO.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4307543 single protein format
CHEMBL319144 OBDepict OH P O OH P OH O HO OH N N IC50 = 670.0 nM 322.15 O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O Homo sapiens CHEMBL1110033 single protein format
CHEMBL262616 OBDepict OH P O OH P OH O HO OH IC50 = 720.0 nM 434.32 O=P(O)(O)C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)P(=O)(O)O Homo sapiens CHEMBL938425 single protein format
CHEMBL54004 OBDepict H 3 C P P OH O OH HO O HO OH IC50 = 720.0 nM 318.24 CCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL71017 OBDepict CH 3 N O P O O OH CH 3 P O HO HO CH 3 CH 3 IC50 = 740.0 nM 385.33 CC(C)=CCC/C(C)=C/CCN(C)CCOP(=O)(O)OP(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL4749465 OBDepict CH 3 N N N P P OH O OH _ O O HO _ O + Na + Na IC50 = 750.0 nM 401.2 CCCCCCc1cn(CC(O)(P(=O)([O-])O)P(=O)([O-])O)nn1.[Na+].[Na+] Homo sapiens CHEMBL4737816 cell-based format
CHEMBL492621 OBDepict H 3 C O + N P P O OH OH O HO _ O F F IC50 = 760.0 nM 535.46 CCCCCCCCCCOc1cc(-c2cc(F)cc(F)c2)c[n+](CC(P(=O)([O-])O)P(=O)(O)O)c1 Homo sapiens CHEMBL1028089 single protein format
CHEMBL1254093 OBDepict CH 3 P P O _ O _ O O _ O _ O CH 3 H 3 C CH 3 H 3 C + Na + Na + Na + Na IC50 = 800.0 nM 558.41 CC(C)=CCC/C(C)=C/CC(Cc1ccc(CC=C(C)C)cc1)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL1250632 assay format
CHEMBL4762902 OBDepict O NH CH 3 P P O _ O _ O O _ O _ O H 3 C CH 3 + Na + Na + Na + Na IC50 = 800.0 nM 485.27 CC(C)=CCC/C(C)=C/CCC(=O)NCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4726976 single protein format
CHEMBL492622 OBDepict H 3 C + P CH 3 CH 3 P P O OH OH O OH _ O IC50 = 890.0 nM 362.28 CCCCCCCC[P+](C)(C)CC(P(=O)([O-])O)P(=O)(O)O Homo sapiens CHEMBL1028089 single protein format
CHEMBL427733 OBDepict H 3 C N H P P O OH HO O HO OH CH 3 CH 3 H 3 C O OH IC50 = 900.0 nM 515.48 CC(C)=CCC/C(C)=C/CC(C/C=C(/C)CNc1ccccc1C(=O)O)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL411030 OBDepict CH 3 P P O OH HO O HO OH H 3 C CH 3 CH 3 CH 3 N H O HO IC50 = 900.0 nM 583.6 CC(C)=CCC/C(C)=C/CC(C/C=C(/C)CC/C=C(C)CNc1ccccc1C(=O)O)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL416301 OBDepict H 3 C P P OH O OH HO O HO OH IC50 = 920.0 nM 346.3 CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL681671 single protein format
CHEMBL4211053 OBDepict CH 3 N N N H 3 C CH 3 P P CH 3 O _ O _ O O _ O _ O + Na + Na + Na + Na IC50 = 920.0 nM 495.27 CC(C)=CCC/C(C)=CCn1cc(CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+] Homo sapiens CHEMBL4182960 single protein format
CHEMBL264692 OBDepict CH 3 P P O OH HO O HO OH H 3 C CH 3 CH 3 CH 3 CH 3 IC50 = 1000.0 nM 448.48 CC(C)=CCC/C(C)=C/CC/C(C)=CCC(CC=C(C)C)(P(=O)(O)O)P(=O)(O)O Homo sapiens CHEMBL922066 assay format
CHEMBL4754564 OBDepict CH 3 N N N P P OH O OH _ O O HO _ O + Na + Na IC50 = 1000.0 nM 429.26 CCCCCCCCc1cn(CC(O)(P(=O)([O-])O)P(=O)([O-])O)nn1.[Na+].[Na+] Homo sapiens CHEMBL4737816 cell-based format