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P00558 | PGK1_HUMAN | Phosphoglycerate kinase 1 (PGK1)

3D structures mapped by conservation among orthologs

[ Domain: "Phosphoglycerate kinase domain 1" // PGK_N ]

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[ Domain: "Phosphoglycerate kinase domain 2" // PGK_C ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3731422 OBDepict CH 3 N H N HN N CH 3 Cl OH IC50 = 1.0 nM 304.78 CCNc1nc2cc(Cl)c(C#CCO)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730386 OBDepict OH Cl N N N H N H H 3 C H 3 C IC50 = 5.0 nM 318.81 CCNc1nc2cc(Cl)c(C#CCCO)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728435 OBDepict CH 3 HN N N H N N Cl N HO H 3 C IC50 = 8.0 nM 416.96 CCNc1nc2cc(C#CCCO)c(Cl)cc2nc1NCCN1CCN(C)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL1995927 OBDepict CH 3 N H N NH N H 3 C O H 3 C Cl IC50 = 9.0 nM 280.76 CCNc1nc2cc(Cl)c(OC)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732725 OBDepict CH 3 HN N HN N CH 3 CH Cl IC50 = 12.0 nM 274.75 C#Cc1cc2nc(NCC)c(NCC)nc2cc1Cl Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731664 OBDepict H 3 C NH N N H N Cl N N IC50 = 15.0 nM 338.8 CCNc1nc2cc(Cl)c(C#N)cc2nc1NCc1cccnc1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731002 OBDepict OH Cl N N NH N H H 3 C N N H 3 C IC50 = 16.0 nM 430.98 CCNc1nc2cc(C#CCCO)c(Cl)cc2nc1NCCCN1CCN(C)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3729175 OBDepict CH 3 N H N NH N CH 3 Cl IC50 = 19.0 nM 314.82 CCNc1nc2cc(Cl)c(C#CC3CC3)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730091 OBDepict OH Cl N N N H N H N N N H 3 C N CH 3 IC50 = 36.0 nM 515.11 CN1CCN(CCNc2nc3cc(Cl)c(C#CCCO)cc3nc2NCCN2CCN(C)CC2)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732027 OBDepict CH 3 N H N NH N H 3 C N Cl IC50 = 38.0 nM 275.74 CCNc1nc2cc(Cl)c(C#N)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3729776 OBDepict OH Cl N N N H Cl CH 3 IC50 = 41.0 nM 310.18 CCNc1nc2cc(C#CCCO)c(Cl)cc2nc1Cl Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731566 OBDepict HO Cl N N N H NH CH 3 CH 3 IC50 = 42.0 nM 332.84 CCNc1nc2cc(Cl)c(C#CCCCO)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732479 OBDepict CH 3 N H N HN N CH 3 Cl N IC50 = 54.0 nM 327.82 CCNc1nc2cc(Cl)c(C#CCCC#N)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730455 OBDepict H 3 C NH N N N N O CH 3 CH 3 Cl IC50 = 66.0 nM 317.78 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(C)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731179 OBDepict CH 3 O Cl N N N H N H H 3 C H 3 C IC50 = 66.0 nM 318.81 CCNc1nc2cc(Cl)c(C#CCOC)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732615 OBDepict H 3 C NH N N H N Cl N N N CH 3 IC50 = 71.0 nM 373.89 CCNc1nc2cc(Cl)c(C#N)cc2nc1NCCN1CCN(C)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732983 OBDepict H 3 C NH N N N N O H CH 3 Cl IC50 = 75.0 nM 303.75 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cn[nH]c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731721 OBDepict H 3 C NH N N S O CH 3 Cl IC50 = 78.0 nM 369.88 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732218 OBDepict H 3 C NH N N N N O CH 3 Cl IC50 = 91.0 nM 393.88 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(Cc2ccccc2)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3733318 OBDepict CH 3 N H N NH N H 3 C + N O _ O Cl IC50 = 98.0 nM 295.73 CCNc1nc2cc(Cl)c([N+](=O)[O-])cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3733323 OBDepict OH O Cl N N N H N H H 3 C H 3 C IC50 = 103.0 nM 348.83 CCNc1nc2cc(Cl)c(C#CCOCCO)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3733024 OBDepict CH 3 N H N NH N H 3 C Cl HO CH 3 IC50 = 122.0 nM 332.84 CCNc1nc2cc(Cl)c(C#CCC(C)O)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732229 OBDepict CH 3 N H N NH N H 3 C Cl OH H 3 C IC50 = 125.0 nM 318.81 CCNc1nc2cc(Cl)c(C#CC(C)O)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728250 OBDepict H 3 C NH N N H N O CH 3 Cl N IC50 = 129.0 nM 343.82 CCNc1nc2cc(OC)c(Cl)cc2nc1NCc1cccnc1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3727706 OBDepict CH 3 HN N N H N O N CH 3 Cl N H 3 C IC50 = 173.0 nM 378.91 CCNc1nc2cc(OC)c(Cl)cc2nc1NCCN1CCN(C)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3727770 OBDepict H 3 C NH N N S O CH 3 Cl IC50 = 190.0 nM 319.82 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccs1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730838 OBDepict CH 3 HN N N H N O CH 3 Cl N N CH 3 IC50 = 195.0 nM 392.94 CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCN(C)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731570 OBDepict CH 3 HN N N O CH 3 Cl N H O O IC50 = 210.0 nM 436.9 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(=O)NCc2ccco2)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730400 OBDepict CH 3 NH N N O H 3 C Cl N CH 3 IC50 = 220.0 nM 366.85 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(ccn2C)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3727820 OBDepict CH 3 HN N N O CH 3 Cl O H 2 N IC50 = 240.0 nM 356.81 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(N)=O)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728634 OBDepict CH 3 HN N HN N O CH 3 Cl N IC50 = 252.0 nM 363.89 CCNc1nc2cc(OC)c(Cl)cc2nc1NCCCN1CCCC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731180 OBDepict CH 3 N H N HN N CH 3 Cl O O CH 3 IC50 = 257.0 nM 360.85 CCNc1nc2cc(Cl)c(C#CCOC(=O)CC)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3729424 OBDepict CH 3 Cl N N N H N H H 3 C H 3 C IC50 = 270.0 nM 302.81 CCC#Cc1cc2nc(NCC)c(NCC)nc2cc1Cl Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731979 OBDepict H 3 C NH N NH N H 3 C O Cl CH IC50 = 320.0 nM 304.78 C#CCOc1cc2nc(NCC)c(NCC)nc2cc1Cl Homo sapiens CHEMBL3734162 single protein format
CHEMBL3727853 OBDepict N Cl N N N N H N N H 3 C IC50 = 346.0 nM 407.91 CN1CCN(CCNc2nc3cc(Cl)c(C#N)cc3nc2-c2ccccn2)CC1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3730512 OBDepict CH 3 N H N NH N H 3 C Cl HO IC50 = 366.0 nM 266.73 CCNc1nc2cc(O)c(Cl)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3727920 OBDepict OH Cl N N N H N H H 3 C H 3 C IC50 = 385.0 nM 346.86 CCNc1nc2cc(Cl)c(C#CCCCCO)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732267 OBDepict CH 3 N H N NH N H 3 C Cl N H O H 2 N IC50 = 393.0 nM 346.82 CCNc1nc2cc(Cl)c(C#CCNC(N)=O)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731901 OBDepict CH 3 N H N NH N H 3 C O H 3 C Cl N CH 3 CH 3 IC50 = 515.0 nM 393.96 CCNc1nc2cc(OC)c(Cl)cc2nc1NC(C)CCCN(CC)CC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732863 OBDepict H 3 C NH N N O H 3 C Cl HN O IC50 = 550.0 nM 446.94 CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(C(=O)NCc2ccccc2)c1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3732931 OBDepict CH 3 N H N NH N H 3 C Cl O H 2 N IC50 = 556.0 nM 317.78 CCNc1nc2cc(Cl)c(C#CC(N)=O)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728714 OBDepict CH 3 N H N NH N H 3 C Cl N IC50 = 570.0 nM 341.85 CCNc1nc2cc(Cl)c(C#CCCCC#N)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3731055 OBDepict HO O N N Cl N N N H N H CH 3 CH 3 IC50 = 596.0 nM 362.82 CCNc1nc2cc(Cl)c(-c3noc(CCO)n3)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728173 OBDepict CH 3 N H N NH N H 3 C Cl O O H 3 C IC50 = 633.0 nM 332.79 CCNc1nc2cc(Cl)c(C#CC(=O)OC)cc2nc1NCC Homo sapiens CHEMBL3734162 single protein format
CHEMBL3733215 OBDepict OH Cl N N N H CH 3 OH IC50 = 665.0 nM 343.81 CCNc1nc2cc(C#CCCO)c(Cl)cc2nc1C#CCCO Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728456 OBDepict H 3 C NH N N H N O CH 3 O N CH 3 IC50 = 710.0 nM 339.4 CCNc1nc2cc(OC)c(OC)cc2nc1NCc1cccnc1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3729640 OBDepict H 3 C NH N N H N O CH 3 O CH 3 N IC50 = 741.0 nM 353.43 CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccncc1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3728706 OBDepict H 3 C NH N N H N O CH 3 O N CH 3 IC50 = 840.0 nM 353.43 CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1 Homo sapiens CHEMBL3734162 single protein format
CHEMBL3729537 OBDepict CH 3 Cl N N N H N H CH 3 CH 3 IC50 = 884.0 nM 330.86 CCCCC#Cc1cc2nc(NCC)c(NCC)nc2cc1Cl Homo sapiens CHEMBL3734162 single protein format