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O43175 | SERA_HUMAN | D-3-phosphoglycerate dehydrogenase (PHGDH)

3D structures mapped by conservation among orthologs

[ Domain: "Formate/glycerate dehydrogenase catalytic domain-like" // 2-Hacid_dh ]

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[ Domain: "NAD(P)-binding Rossmann-fold domains" // 2-Hacid_dh_C ]

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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
CHEMBL4541133 OBDepict OH N H H O N S H 3 C O O H 3 C H 3 C O O CH 3 Cl Cl CH 3 IC50 = 0.3 nM 541.45 COC(=O)C(C)(C)S(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4584313 OBDepict CH 3 O O S H 3 C O O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 1.6 nM 476.98 COC(=O)C(C)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4436264 OBDepict OH O S O O N H CH 3 H O N CH 3 Cl Cl CH 3 IC50 = 2.0 nM 483.37 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4375167 single protein format
CHEMBL4467246 OBDepict OH O S O O N H CH 3 H O N CH 3 Cl CH 3 IC50 = 3.0 nM 448.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4515492 OBDepict OH N H H O N + S CH 3 _ O Cl O OH Cl H 3 C IC50 = 3.0 nM 483.37 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc([S@+]([O-])CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4520837 OBDepict HO N H H O N S H 3 C O O O HO Cl Cl CH 3 IC50 = 3.0 nM 499.37 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4375168 single protein format
CHEMBL4527607 OBDepict OH N H H O N + S CH 3 _ O Cl O OH Cl H 3 C IC50 = 3.0 nM 483.37 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc([S+]([O-])CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4540875 OBDepict H 3 C O O S O O N H H 3 C H O N H 3 C Cl H 3 C O IC50 = 3.7 nM 533.05 COC(=O)C1(S(=O)(=O)c2ccc([C@@H](C)NC(=O)c3cc4c(Cl)cc(C)cc4n3C)cc2)CCOCC1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4521661 OBDepict CH 3 O O S H 3 C O O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 3.9 nM 491.01 CCOC(=O)C(C)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4542437 OBDepict OH N H H O N S CH 3 O O H 3 C H 3 C O OH Cl Cl H 3 C IC50 = 4.0 nM 527.43 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)C(C)(C)C(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4483622 OBDepict HO N H H O N S H 3 C O O O HO Cl F CH 3 IC50 = 5.0 nM 482.92 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1F Homo sapiens CHEMBL4477153 assay format
CHEMBL4548014 OBDepict OH O S O O N H CH 3 H O N CH 3 Cl F CH 3 IC50 = 5.0 nM 466.92 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1F Homo sapiens CHEMBL4477153 assay format
CHEMBL4587306 OBDepict OH O S H 3 C H 3 C O O N H H 3 C H O N H 3 C Cl Cl H 3 C IC50 = 5.0 nM 511.43 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C(C)(C)C(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4533417 OBDepict HO N H H O N S CH 3 O O O HO Cl CH 3 IC50 = 6.0 nM 464.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4483483 OBDepict CH 3 Cl N H 3 C N H O CH 3 H S O O O HO IC50 = 6.0 nM 503.02 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4(C(=O)O)CCCC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4547034 OBDepict H 3 C S O O N H H 3 C H O N H 3 C Cl H 3 C O OH IC50 = 6.0 nM 491.01 CCCC(C(=O)O)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4560976 OBDepict OH N H H O N + S CH 3 _ O Cl O OH Cl H 3 C IC50 = 7.0 nM 483.37 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc([S@@+]([O-])CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4548203 OBDepict CH 3 Cl N H 3 C N H O CH 3 H S O O O HO O IC50 = 7.0 nM 519.02 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4(C(=O)O)CCOCC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4585012 OBDepict OH N H H O N + S H 3 C _ O Cl O OH H 3 C IC50 = 8.0 nM 448.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc([S+]([O-])CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4536020 OBDepict OH O + S _ O N H CH 3 H O N CH 3 Cl Cl CH 3 IC50 = 8.0 nM 467.37 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc([S+]([O-])CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477152 assay format
CHEMBL4517873 OBDepict HO N H H O N S H 3 C O O O HO F F CH 3 IC50 = 8.0 nM 466.46 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(F)c1F Homo sapiens CHEMBL4477153 assay format
CHEMBL4580665 OBDepict HO O S CH 3 O O N H CH 3 H O N CH 3 Cl CH 3 IC50 = 8.0 nM 462.96 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C(C)C(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4518612 OBDepict HO N H H O N S H 3 C O O O HO N Cl Cl CH 3 IC50 = 9.0 nM 500.36 Cc1nc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477153 assay format
CHEMBL4592933 OBDepict CH 3 Cl N H 3 C NH O CH 3 H S O O O HO IC50 = 10.0 nM 474.97 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4(C(=O)O)CC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4513843 OBDepict H 3 C S O O N H H 3 C H O N H 3 C Cl H 3 C O OH CH 3 IC50 = 10.0 nM 505.04 CCC(CC)(C(=O)O)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4536556 OBDepict OH N H H O N + S CH 3 _ O F O OH F H 3 C IC50 = 10.0 nM 450.46 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc([S@@+]([O-])CC(=O)O)cc3)n2C)c(F)c1F Homo sapiens CHEMBL4477152 assay format
CHEMBL4539932 OBDepict OH O N N H S HN O O O CH 3 O N CH 3 Cl Cl IC50 = 10.0 nM 505.38 CC(=O)NS(=O)(=O)N1CCC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C(CC(=O)O)C1 Homo sapiens CHEMBL4375163 assay format
CHEMBL4522032 OBDepict CH 3 O H 3 C O S CH 3 O O N H CH 3 H O N CH 3 Cl CH 3 IC50 = 10.1 nM 505.04 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C(C)C(=O)OC(C)C)cc3)n(C)c2c1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4517506 OBDepict CH 3 S O O N H H 3 C H O N H 3 C Cl H 3 C O OH IC50 = 11.0 nM 476.98 CCC(C(=O)O)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4547905 OBDepict OH O + S _ O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 11.0 nM 432.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc([S+]([O-])CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4572814 OBDepict H 3 C Cl N H 3 C N H O H 3 C H S O O H 3 C H 3 C O OH IC50 = 12.0 nM 476.98 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C(C)(C)C(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4572184 OBDepict OH O S O O N H CH 3 H O N CH 3 Cl CH 3 CH 3 IC50 = 13.0 nM 462.96 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1C Homo sapiens CHEMBL4477153 assay format
CHEMBL4438014 OBDepict O N H N CH 3 CH 3 H Cl Cl H 3 C O OH IC50 = 14.0 nM 405.28 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4375167 single protein format
CHEMBL4557404 OBDepict O O S O O N H CH 3 H O N CH 3 Cl CH 3 O IC50 = 14.7 nM 533.05 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)OC4CCOCC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4443265 OBDepict HO O N N H O O N H 3 C Cl Cl IC50 = 15.0 nM 510.38 Cn1c(C(=O)NC2(c3ccc(C(C(=O)O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21 Homo sapiens CHEMBL4350234 single protein format
CHEMBL4587964 OBDepict OH O + S _ O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 17.0 nM 432.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc([S@+]([O-])CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4551822 OBDepict OH O S O O N H H 3 C H O N CH 3 Cl N N CH 3 IC50 = 20.0 nM 514.99 C[C@@H](NC(=O)c1cc2c(Cl)cc(-c3cnn(C)c3)cc2n1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4582792 OBDepict O O S O O N H H 3 C H O N H 3 C Cl Cl H 3 C IC50 = 20.0 nM 523.44 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4CCCOC4=O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477152 assay format
CHEMBL4591375 OBDepict H 3 C N O S O OH O O N H H 3 C H O N H 3 C Cl Cl H 3 C IC50 = 21.0 nM 594.52 CC(=O)N1CCC(C(=O)O)(S(=O)(=O)c2ccc([C@@H](C)NC(=O)c3cc4c(Cl)c(Cl)c(C)cc4n3C)cc2)CC1 Homo sapiens CHEMBL4477152 assay format
CHEMBL4524231 OBDepict CH 3 O S O O N H H 3 C H O N H 3 C Cl H 3 C O OH IC50 = 21.0 nM 507.01 COCCC(C(=O)O)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4556963 OBDepict OH O S O O N H H 3 C O N CH 3 Cl I IC50 = 24.0 nM 560.8 CC(NC(=O)c1cc2c(Cl)cc(I)cc2n1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4458393 OBDepict OH O S O O N H H 3 C H O N CH 3 N IC50 = 25.0 nM 427.48 C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4476654 OBDepict HO O N N H O O N H 3 C Cl Cl IC50 = 25.0 nM 524.4 Cn1c(C(=O)NC2(c3ccc(C(CC(=O)O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21 Homo sapiens CHEMBL4350234 single protein format
CHEMBL4541970 OBDepict HO HN H O N S H 3 C O O O O F O Cl CH 3 IC50 = 27.0 nM 553.01 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCC4(F)COC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4522467 OBDepict O N H N CH 3 CH 3 H H 3 C O OH IC50 = 28.0 nM 386.45 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n2C)c2ccccc12 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4594097 OBDepict CH 3 Cl N H 3 C N H O CH 3 H O HO IC50 = 28.0 nM 370.84 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4576106 OBDepict CH Cl N H 3 C N H O CH 3 S O O O HO IC50 = 29.0 nM 458.92 C#Cc1cc(Cl)c2cc(C(=O)NC(C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4518579 OBDepict CH 3 O O S O O NH H HO O N H 3 C Cl Cl H 3 C IC50 = 29.0 nM 527.43 CCOC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1 Homo sapiens CHEMBL4375176 cell-based format
CHEMBL4578644 OBDepict OH O N H O O N H 3 C Cl Cl IC50 = 30.0 nM 433.29 Cn1c(C(=O)NC2(c3ccc(CC(=O)O)cc3)COC2)cc2c(Cl)c(Cl)ccc21 Homo sapiens CHEMBL4350234 single protein format
CHEMBL4473052 OBDepict CH 3 Cl N H 3 C N H O CH 3 H O HO IC50 = 30.0 nM 384.86 CCc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4469992 OBDepict O N H N CH 3 H 3 C H Cl Cl O HO IC50 = 30.0 nM 391.25 C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4534115 OBDepict CH 3 O O S H 3 C H 3 C O O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 30.2 nM 505.04 CCOC(=O)C(C)(C)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4577108 OBDepict OH N H H O N + S CH 3 _ O F O OH F H 3 C IC50 = 32.0 nM 450.46 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc([S@+]([O-])CC(=O)O)cc3)n2C)c(F)c1F Homo sapiens CHEMBL4477152 assay format
CHEMBL4545321 OBDepict H 3 C O O S O O N H H 3 C H O N H 3 C N F IC50 = 32.8 nM 459.5 COC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4452531 OBDepict OH O F N H O O N H 3 C Cl Cl IC50 = 34.0 nM 451.28 Cn1c(C(=O)NC2(c3ccc(CC(=O)O)c(F)c3)COC2)cc2c(Cl)c(Cl)ccc21 Homo sapiens CHEMBL4350234 single protein format
CHEMBL4580853 OBDepict HO N H H O N S CH 3 O O O HO N Cl CH 3 IC50 = 35.0 nM 465.92 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2n1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4455598 OBDepict O N H N CH 3 O Cl Cl F O OH IC50 = 37.0 nM 437.25 Cn1c(C(=O)NC2(c3ccc(C(=O)O)c(F)c3)COC2)cc2c(Cl)c(Cl)ccc21 Homo sapiens CHEMBL4350234 single protein format
CHEMBL4549808 OBDepict HO N H H O N S H 3 C O O O HO Cl N N CH 3 IC50 = 40.0 nM 549.05 CN1CCN(c2cc(Cl)c3cc(C(=O)N[C@H](CO)c4ccc(S(=O)(=O)CC(=O)O)cc4)n(C)c3c2)CC1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4557402 OBDepict OH O S O O N H CH 3 H O N CH 3 N Cl CH 3 IC50 = 41.0 nM 449.92 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2n1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4474620 OBDepict OH O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 51.0 nM 370.84 Cc1cc2c(cc1Cl)cc(C(=O)N[C@H](C)c1ccc(C(=O)O)cc1)n2C Homo sapiens CHEMBL4375167 single protein format
CHEMBL4563552 OBDepict H 3 C O O S O O N N H H 3 C H O N H 3 C Cl H 3 C IC50 = 51.4 nM 463.94 COC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)nc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4552712 OBDepict HO O O S O O HN H OH O N CH 3 Cl CH 3 IC50 = 52.0 nM 508.98 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCCO)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4521930 OBDepict OH O S O O N H H 3 C H O N CH 3 N N H IC50 = 53.0 nM 466.52 C[C@@H](NC(=O)c1cc(-c2cccc3cc[nH]c23)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4574871 OBDepict HO HN H O N S CH 3 O O O O O Cl CH 3 IC50 = 54.0 nM 535.02 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCC4COC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4513944 OBDepict O O S O O N H CH 3 H O N CH 3 Cl CH 3 S O O H 3 C IC50 = 54.0 nM 555.07 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)OCCS(C)(=O)=O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4457646 OBDepict O N H N CH 3 CH 3 H O OH IC50 = 58.0 nM 372.42 C[C@@H](NC(=O)c1cc2c3ccccc3ccc2n1C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4560125 OBDepict HO O HN CH 3 H O N H 3 C Cl Br IC50 = 61.0 nM 435.71 C[C@@H](NC(=O)c1cc2cc(Cl)c(Br)cc2n1C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4578446 OBDepict HO HN H O N S H 3 C O O O O CH 3 O Cl CH 3 IC50 = 61.0 nM 549.05 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCC4(C)COC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4516261 OBDepict OH O + S _ O N H H 3 C H O N H 3 C Cl H 3 C IC50 = 61.0 nM 432.93 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc([S@@+]([O-])CC(=O)O)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4569609 OBDepict CH 3 O O O S O O NH H HO O N H 3 C Cl H 3 C IC50 = 62.0 nM 523.01 COCCOC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4535659 OBDepict CH 3 O O S O O N H H 3 C H O N H 3 C N F IC50 = 62.1 nM 473.53 CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4530135 OBDepict CH 3 O O S O O N H H 3 C H O N H 3 C N N H IC50 = 64.8 nM 494.57 CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3cccc4cc[nH]c34)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4573469 OBDepict CH 3 O H 3 C O S O O N H CH 3 O N CH 3 Cl CH 3 IC50 = 66.3 nM 491.01 Cc1cc(Cl)c2cc(C(=O)NC(C)c3ccc(S(=O)(=O)CC(=O)OC(C)C)cc3)n(C)c2c1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4518189 OBDepict H N H H 3 C O N S H 3 C N O O O O CH 3 CH 3 F IC50 = 68.4 nM 487.55 CC(C)OC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4565713 OBDepict CH 3 HN O S O O N H H 3 C O N H 3 C N IC50 = 70.0 nM 426.5 CC(=O)NS(=O)(=O)c1ccc(C(C)NC(=O)c2cc(-c3ccccc3)nn2C)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4549376 OBDepict CH 3 H 3 C O O S O O N H CH 3 H O N CH 3 Cl CH 3 IC50 = 70.1 nM 505.04 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)OCC(C)C)cc3)n(C)c2c1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4437057 OBDepict CH 3 O N Cl H 3 C N H O CH 3 H O HO IC50 = 72.0 nM 386.84 COc1cc(Cl)cc2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c12 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4550369 OBDepict O O S O O N H CH 3 H O N CH 3 Cl CH 3 O IC50 = 72.0 nM 504.99 Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)OC4COC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4593777 OBDepict CH 3 O O S O O N H H 3 C H O N H 3 C N Cl Cl H 3 C IC50 = 72.1 nM 512.42 CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(Cl)c(Cl)c(C)nc3n2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4590594 OBDepict CH 3 O O S O O N H H 3 C H O N H 3 C N N N IC50 = 73.3 nM 495.56 CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-n3ncc4ccccc43)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4568292 OBDepict F N N CH 3 N H O CH 3 H S O O O OH IC50 = 74.0 nM 499.56 C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)C2(C(=O)O)CCCC2)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4530767 OBDepict OH O S O O N H H 3 C H O N CH 3 N F IC50 = 76.0 nM 445.47 C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4444192 OBDepict O N H N H 3 C CH 3 H Cl F F O OH IC50 = 81.0 nM 406.82 C[C@@H](NC(=O)c1cc2c(Cl)cc(C(F)F)cc2n1C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4521064 OBDepict CH 3 N N Cl N H 3 C N H O CH 3 H S O O O HO IC50 = 84.0 nM 533.05 C[C@@H](NC(=O)c1cc2c(Cl)cc(N3CCN(C)CC3)cc2n1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4572318 OBDepict HO N H H O N S CH 3 O O O O H O Cl CH 3 IC50 = 85.0 nM 535.02 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)O[C@H]4CCOC4)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4545772 OBDepict OH N H H O N S H 3 C O O O O CH 3 Cl CH 3 IC50 = 87.0 nM 478.95 COC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4483039 OBDepict OH N H H O N + S H 3 C _ O Cl O O Cl H 3 C CH 3 IC50 = 89.0 nM 497.4 COC(=O)C[S@+]([O-])c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4578573 OBDepict OH O O S O O HN H OH O N CH 3 Cl CH 3 IC50 = 98.0 nM 523.01 Cc1cc(Cl)c2cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCCCO)cc3)n(C)c2c1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4536159 OBDepict OH N H H O N + S H 3 C _ O Cl O O Cl H 3 C CH 3 IC50 = 98.0 nM 497.4 COC(=O)C[S+]([O-])c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4446190 OBDepict HO O H N O HN CH 3 H O N H 3 C N IC50 = 100.0 nM 432.48 C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4588817 OBDepict CH 3 HN O S O O N H H 3 C H O N H 3 C N IC50 = 100.0 nM 426.5 CC(=O)NS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nn2C)cc1 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4564291 OBDepict HO O O S O O HN H HO O N CH 3 Cl Cl CH 3 IC50 = 107.0 nM 543.43 Cc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(S(=O)(=O)CC(=O)OCCO)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477152 assay format
CHEMBL4575857 OBDepict O O S O O N H CH 3 H O N CH 3 Cl Cl CH 3 IC50 = 119.0 nM 509.41 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4CCOC4=O)cc3)n2C)c(Cl)c1Cl Homo sapiens CHEMBL4477152 assay format
CHEMBL4537896 OBDepict O O S O O N H CH 3 H O N CH 3 F F CH 3 IC50 = 119.0 nM 476.5 Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)C4CCOC4=O)cc3)n2C)c(F)c1F Homo sapiens CHEMBL4477152 assay format
CHEMBL4514983 OBDepict OH N H H O N + S H 3 C _ O Cl O O H 3 C CH 3 IC50 = 120.0 nM 462.96 COC(=O)C[S@+]([O-])c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)cc(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4541457 OBDepict OH N H H O N S H 3 C O O O O CH 3 Cl Cl CH 3 IC50 = 121.0 nM 513.4 COC(=O)CS(=O)(=O)c1ccc([C@@H](CO)NC(=O)c2cc3c(Cl)c(Cl)c(C)cc3n2C)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4460522 OBDepict H 3 C O N F CH 3 Cl N H O H 3 C H O OH IC50 = 123.0 nM 404.83 COc1cc(F)c(Cl)c2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c12 Homo sapiens CHEMBL4375167 single protein format
CHEMBL4527049 OBDepict H 3 C O CH 3 O S O O N H H 3 C H O N H 3 C N IC50 = 134.9 nM 469.56 CC(C)OC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nn2C)cc1 Homo sapiens CHEMBL4477151 cell-based format
CHEMBL4552450 OBDepict OH O S H 3 C H O O N H H 3 C H O N CH 3 Cl IC50 = 139.0 nM 448.93 C[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(S(=O)(=O)[C@H](C)C(=O)O)cc1 Homo sapiens CHEMBL4477153 assay format
CHEMBL4539828 OBDepict F N N CH 3 N H O CH 3 H S O O O OH O IC50 = 139.0 nM 515.56 C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)C2(C(=O)O)CCOCC2)cc1 Homo sapiens CHEMBL4477153 assay format