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Q9BV23 | ABHD6_HUMAN | Monoacylglycerol lipase ABHD6 (ABHD6)

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
CHEMBL3613671 OBDepict O N O CH 3 N S N N O IC50 = 44.0 nM 354.48 CN(C(=O)Oc1nsnc1N1CCOCC1)C1CCCCCCC1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL175247 OBDepict H 3 C O H H O O H N H H O CH 3 H 3 C O CH 3 IC50 = 48.0 nM 495.75 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O Homo sapiens CHEMBL3405400 cell-based format
CHEMBL3613162 OBDepict NH 2 N N O O O IC50 = 73.0 nM 283.29 Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL4469632 OBDepict O N O F F F F F F N N N N N CH 3 H 3 C IC50 = 91.0 nM 554.5 Cn1ncc2cc(C(c3ccc4c(cnn4C)c3)N3CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)ccc21 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL4436074 OBDepict O N O F F F F F F N N S O O CH 3 IC50 = 99.0 nM 517.49 CS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(N2CCCC2)c1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3613161 OBDepict _ O + N O N N O O O IC50 = 130.0 nM 313.27 O=c1oc(Oc2ccccc2)nn1Cc1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL3979183 OBDepict O N O F F F F F F N N N H 3 C IC50 = 130.0 nM 450.38 Cn1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(-c2ccccc2)n1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3894067 OBDepict O N O F F F F F F N N N H 3 C Cl IC50 = 170.0 nM 484.83 Cn1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(-c2ccccc2Cl)n1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3910417 OBDepict O N O F F F F F F N N N IC50 = 182.0 nM 448.37 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2cccnc2)c2cccnc2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL4584757 OBDepict O N O F F F F F F N Cl IC50 = 190.0 nM 404.74 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3613003 OBDepict H 3 C O N O N O NH 2 IC50 = 216.0 nM 221.22 COc1nn(Cc2cccc(N)c2)c(=O)o1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL3945728 OBDepict O N O F F F F F F N N F F F IC50 = 253.0 nM 507.4 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1 Homo sapiens CHEMBL4309908 cell-based format
CHEMBL3941394 OBDepict O N O F F F F F F N N H 3 C N IC50 = 290.0 nM 450.38 Cn1nc(-c2ccccc2)cc1CN1CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3613666 OBDepict H 3 C O O N N O O O CH 3 IC50 = 450.0 nM 264.24 COC(=O)c1cccc(Cn2nc(OC)oc2=O)c1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL4753784 OBDepict CH 3 O CH 3 N N H O O F IC50 = 530.0 nM 462.57 COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(OCc3ccc(F)cc3)nc2C)cc1 Homo sapiens CHEMBL4711359 cell-based format
CHEMBL4781965 OBDepict CH 3 O CH 3 N N H O O F IC50 = 530.0 nM 462.57 COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1 Homo sapiens CHEMBL4711359 cell-based format
CHEMBL4174442 OBDepict F O N N H O CH 3 Br IC50 = 530.0 nM 435.34 Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1 Homo sapiens CHEMBL4155189 cell-based format
CHEMBL4437377 OBDepict O N O F F F F F F N N F F F H HO IC50 = 540.0 nM 523.4 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CC[C@@H](O)C2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL4435014 OBDepict Cl N N N H N O O F F F F F F IC50 = 562.0 nM 528.93 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2N2CC[C@H]3CCCN3C2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3986768 OBDepict O N O F F F F F F N N N O O IC50 = 600.0 nM 428.29 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2cocn2)c2cocn2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL4468639 OBDepict F N N Cl N N O O F F F F F F IC50 = 660.0 nM 534.9 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2N2CCN(CCF)CC2)CC1 Homo sapiens CHEMBL4309850 subcellular format
CHEMBL3402827 OBDepict O N N N N IC50 = 750.0 nM 368.44 O=C(N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)n1cncn1 Homo sapiens CHEMBL3405400 cell-based format
CHEMBL3319620 OBDepict HO O N S O O O H 3 C H 3 C O Ki = 800.0 nM 481.57 CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3ccc(Oc4ccccc4)cc3)ccc2O1 Homo sapiens CHEMBL3373892 cell-based format
CHEMBL3613668 OBDepict H 3 C O N O N O F F F IC50 = 870.0 nM 274.2 COc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)o1 Homo sapiens CHEMBL3614931 cell-based format
CHEMBL4522687 OBDepict O N O F F F F F F N N F F F H HO IC50 = 940.0 nM 523.4 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CC[C@H](O)C2)CC1 Homo sapiens CHEMBL4309850 subcellular format