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O15120 | PLCB_HUMAN | 1-acyl-sn-glycerol-3-phosphate acyltransferase beta (AGPAT2)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL34896 OBDepict CH O N H O Cl N S Cl IC50 = 6.0 nM 377.25 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL75167 OBDepict CH 3 O N Cl N H N NH 2 + N O _ O IC50 = 10.0 nM 385.81 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc([N+](=O)[O-])cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL35388 OBDepict CH O N H O Cl N S F F F IC50 = 15.0 nM 410.8 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL286394 OBDepict N N H O Cl N S Cl IC50 = 15.0 nM 362.24 N#CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35508 OBDepict CH O N H O H 3 C N S Cl IC50 = 15.0 nM 356.83 C#CCOC(=O)Nc1ccc(C)c(-c2nc3cc(Cl)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL310136 OBDepict CH 3 O N Br N H N NH 2 Cl IC50 = 16.0 nM 419.71 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL308945 OBDepict CH 3 O N Cl N H N NH 2 Cl IC50 = 17.0 nM 375.26 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL77883 OBDepict CH 3 O N Br N H N NH 2 N IC50 = 17.0 nM 410.28 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C#N)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL74548 OBDepict NH 2 N N N H CH 3 Br Br IC50 = 18.0 nM 434.14 Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL307716 OBDepict NH 2 N N N H Cl Cl Cl IC50 = 20.0 nM 365.65 Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Cl)ccc2Cl)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL311379 OBDepict NH 2 N N N H CH 3 Cl Cl IC50 = 22.0 nM 345.23 Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL74492 OBDepict CH 3 O N Cl N H N NH 2 N N H IC50 = 24.0 nM 380.84 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL422579 OBDepict N N H O Cl N O Cl IC50 = 27.0 nM 346.17 N#CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL74708 OBDepict OH N H N NH 2 N O Cl CH 3 IC50 = 28.0 nM 384.87 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL424605 OBDepict H 3 C O N Cl N H N NH 2 Br IC50 = 28.0 nM 405.68 COc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL74549 OBDepict Cl NH N NH 2 N CH 3 Br IC50 = 31.0 nM 389.68 Cc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL73376 OBDepict Br NH N NH 2 N CH 3 Cl IC50 = 34.0 nM 389.68 Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL72618 OBDepict CH 3 O N Br N H N NH 2 O H 3 C IC50 = 34.0 nM 427.3 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C(C)=O)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL32894 OBDepict CH O N H O Cl N O Cl IC50 = 35.0 nM 361.18 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL193874 OBDepict CH 3 O Cl NH N NH 2 Cl IC50 = 40.0 nM 360.24 COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL284111 OBDepict CH 3 O N H O Cl N S Cl IC50 = 40.0 nM 353.23 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35165 OBDepict CH O N H O Cl N O IC50 = 50.0 nM 326.74 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35564 OBDepict N N H O Cl N S F F F IC50 = 50.0 nM 395.79 N#CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL193911 OBDepict H 3 C O Cl N H N NH 2 O IC50 = 50.0 nM 367.84 CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL194604 OBDepict CH 3 O Cl N H N NH 2 Cl IC50 = 50.0 nM 374.27 CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL306107 OBDepict H 3 C O N Cl N H N NH 2 Cl IC50 = 54.0 nM 361.23 COc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL36501 OBDepict NH 2 N N N H N CH 3 Cl Br IC50 = 60.0 nM 390.67 Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Br)cc2)n1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL418604 OBDepict CH O N H O Cl N N CH 3 Cl IC50 = 60.0 nM 374.23 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3n2C)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL195457 OBDepict CH 3 O N N Cl NH N NH 2 Cl IC50 = 70.0 nM 362.22 COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL32731 OBDepict N N H O H 3 C N S IC50 = 70.0 nM 307.38 Cc1ccc(NC(=O)CC#N)cc1-c1nc2ccccc2s1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL32553 OBDepict CH O N H O Cl N O Cl IC50 = 75.0 nM 375.21 C#CCCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL75522 OBDepict CH 3 O N Cl N H N NH 2 OH IC50 = 75.0 nM 370.84 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL286639 OBDepict H 3 C O N H O Cl N O Cl IC50 = 75.0 nM 375.21 CC#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL76274 OBDepict H 3 C O N Cl N H N NH 2 N N H IC50 = 80.0 nM 366.81 COc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL72992 OBDepict CH 3 O N Br N H N NH 2 N H 3 C HO IC50 = 84.0 nM 442.32 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(/C(C)=NO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL73574 OBDepict CH 3 O N Br N H N NH 2 NH O HO IC50 = 88.0 nM 444.29 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C(=O)NO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL74932 OBDepict CH 3 O N Br N H N NH 2 B OH HO IC50 = 91.0 nM 429.08 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(B(O)O)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL193588 OBDepict H 3 C O Cl N H N NH 2 OH IC50 = 99.0 nM 369.85 CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(CO)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL33773 OBDepict CH O N H O H 3 C N O Cl IC50 = 100.0 nM 340.77 C#CCOC(=O)Nc1ccc(C)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35967 OBDepict CH N H N H O Cl N O Cl IC50 = 100.0 nM 360.2 C#CCNC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35006 OBDepict N N H O Cl N O CH 3 IC50 = 100.0 nM 325.76 Cc1ccc2oc(-c3cc(NC(=O)CC#N)ccc3Cl)nc2c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL418404 OBDepict CH N H O Cl N O Cl IC50 = 100.0 nM 359.21 C#CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL309911 OBDepict CH 3 O N Br NH 2 N N H IC50 = 120.0 nM 385.27 CCOc1ccc(Br)cc1-c1cc(Nc2ccccc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL34938 OBDepict CH O N H O Cl N N CH 3 F F F IC50 = 120.0 nM 407.78 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3n2C)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL422414 OBDepict Cl H 3 C N HN N NH 2 F F F IC50 = 140.0 nM 378.79 Cc1ccc(Cl)cc1-c1cc(Nc2ccc(C(F)(F)F)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL193589 OBDepict CH 3 O N N Cl N H N NH 2 Cl IC50 = 140.0 nM 376.25 CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL35051 OBDepict CH O N H O Cl N O F F F IC50 = 140.0 nM 394.74 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL73947 OBDepict Cl NH N NH 2 N CH 3 F IC50 = 150.0 nM 328.78 Cc1ccc(F)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL286925 OBDepict CH O N H O Cl O N CH 3 IC50 = 160.0 nM 340.77 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3c(C)cccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL34138 OBDepict _ N + N N N H O Cl N O Cl IC50 = 170.0 nM 362.18 [N-]=[N+]=NCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL34585 OBDepict CH O N H O Cl N O H 3 C IC50 = 190.0 nM 340.77 C#CCOC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL33960 OBDepict CH 3 O N H O Cl N S F F F IC50 = 200.0 nM 386.78 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3s2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL75714 OBDepict CH 3 O N Br N H N NH 2 O HO IC50 = 210.0 nM 443.3 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(CC(=O)O)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL75132 OBDepict OH HN N NH 2 N O Cl CH 3 IC50 = 230.0 nM 398.89 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCCO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL193713 OBDepict CH 3 O Cl NH N NH 2 CH 3 IC50 = 240.0 nM 339.83 COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL194603 OBDepict CH 3 O Cl NH N NH 2 O IC50 = 260.0 nM 353.81 COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL32938 OBDepict N NH O Cl N N CH 3 Cl IC50 = 300.0 nM 359.22 Cn1c(-c2cc(NC(=O)CC#N)ccc2Cl)nc2cc(Cl)ccc21 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35582 OBDepict CH 3 O N H O Cl N O Cl IC50 = 300.0 nM 337.16 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL305915 OBDepict CH 3 O N Br N H N NH 2 NH O OH IC50 = 400.0 nM 458.32 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(CC(=O)NO)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL34636 OBDepict CH 3 O N H O Cl N O H 3 C IC50 = 400.0 nM 316.74 COC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL308275 OBDepict Cl N H N NH 2 N HO Br IC50 = 450.0 nM 391.66 Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Br)ccc2O)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL193910 OBDepict CH 3 O Cl N H N NH 2 CH 3 IC50 = 490.0 nM 353.85 CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1 Homo sapiens CHEMBL880414 cell-based format
CHEMBL33823 OBDepict CH 3 O N H O Cl O N CH 3 IC50 = 500.0 nM 316.74 COC(=O)Nc1ccc(Cl)c(-c2nc3c(C)cccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL35458 OBDepict CH 3 O N H O Cl N O IC50 = 500.0 nM 302.72 COC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL33877 OBDepict CH N H O Cl N O H 3 C IC50 = 500.0 nM 338.79 C#CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL286185 OBDepict CH 3 O N H O H 3 C N O Cl IC50 = 550.0 nM 316.74 COC(=O)Nc1ccc(C)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL77790 OBDepict CH 3 O N Cl N H N NH 2 O HO IC50 = 580.0 nM 398.85 CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CC(=O)O)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL35453 OBDepict _ N + N N N H O Cl N O CH 3 IC50 = 600.0 nM 341.76 Cc1ccc2oc(-c3cc(NC(=O)CN=[N+]=[N-])ccc3Cl)nc2c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL305688 OBDepict NH 2 N N N H CH 3 Cl Br IC50 = 610.0 nM 389.68 Cc1ccc(Cl)cc1-c1cc(Nc2cccc(Br)c2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL73912 OBDepict CH 3 O N Cl NH 2 N N H + N O _ O IC50 = 640.0 nM 385.81 CCOc1ccc(Cl)cc1-c1cc(Nc2cccc([N+](=O)[O-])c2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL290583 OBDepict CH 3 O N H O Cl N N CH 3 Cl IC50 = 650.0 nM 350.2 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3n2C)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL74931 OBDepict CH 3 O N Br NH 2 N N H N IC50 = 720.0 nM 410.28 CCOc1ccc(Br)cc1-c1cc(Nc2cccc(C#N)c2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL308100 OBDepict CH 3 O N Br N H N NH 2 O H 2 N IC50 = 750.0 nM 428.29 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(C(N)=O)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL34886 OBDepict CH 3 O N H O Cl N O F F F IC50 = 800.0 nM 370.71 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL75170 OBDepict CH 3 O N Cl N NH NH 2 N N H IC50 = 800.0 nM 366.81 COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc3c[nH]nc3c2)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL35787 OBDepict CH 3 N H N H O Cl N O Cl IC50 = 950.0 nM 336.18 CNC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format
CHEMBL75467 OBDepict CH 3 O N Br N H N NH 2 N H 3 C O CH 3 IC50 = 970.0 nM 456.34 CCOc1ccc(Br)cc1-c1cc(Nc2ccc(/C(C)=NOC)cc2)nc(N)n1 Homo sapiens CHEMBL710870 cell-based format
CHEMBL35001 OBDepict CH 3 O N H O Cl N O H 3 C IC50 = 1000.0 nM 316.74 COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 Homo sapiens CHEMBL710871 cell-based format