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P33121 | ACSL1_HUMAN | Long-chain-fatty-acid--CoA ligase 1 (ACSL1)

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
CHEMBL4764916 OBDepict H N N N N F H O N N CH 3 O IC50 = 3.0 nM 448.5 Cn1c(Cc2ccc3c(c2)OCC3)nc2cc(O[C@H]3CC[C@@](F)(c4nnn[nH]4)CC3)ccc21 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4750346 OBDepict CH 3 N N CH 3 O H F N N N H N IC50 = 13.0 nM 420.49 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@](F)(c5nnn[nH]5)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4746996 OBDepict HO O H H O N N CH 3 O IC50 = 13.0 nM 406.48 Cn1c(Cc2ccc3c(c2)OCC3)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4787746 OBDepict OH O H H O Cl N N CH 3 CH 3 IC50 = 28.0 nM 412.92 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc(Cl)c3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4749130 OBDepict CH 3 N N CH 3 O H H N N N H N IC50 = 34.0 nM 402.5 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](c5nnn[nH]5)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4781788 OBDepict OH O H H O N O CH 3 IC50 = 39.0 nM 365.43 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3o2)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4778736 OBDepict OH O H H O N N CH 3 CH 3 IC50 = 42.0 nM 378.47 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4797544 OBDepict OH O H H O N N N CH 3 CH 3 IC50 = 44.0 nM 379.46 Cc1cccc(Cc2nc3nc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4755109 OBDepict OH O H H O N N CH 3 CH 3 IC50 = 45.0 nM 378.47 Cc1cccc(Cn2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3c2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4740366 OBDepict OH O H H O Cl N N CH 3 CH 3 IC50 = 47.0 nM 412.92 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)c(Cl)cc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4748671 OBDepict CH 3 N N H 3 C O H H N N O H O IC50 = 47.0 nM 418.5 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](c5noc(=O)[nH]5)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4783346 OBDepict OH O H H O N N CH 3 CH 3 IC50 = 150.0 nM 378.47 Cc1ccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)cc1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4800541 OBDepict OH O H H O N N H 3 C F F F IC50 = 190.0 nM 432.44 Cn1c(Cc2cccc(C(F)(F)F)c2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4761388 OBDepict HO O H H O O O IC50 = 240.0 nM 338.36 O=c1c2ccccc2oc2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc12 Homo sapiens CHEMBL4678700 single protein format
CHEMBL4757253 OBDepict HO O H H O O O IC50 = 240.0 nM 338.36 O=c1c2ccccc2oc2ccc(O[C@H]3CC[C@H](C(=O)O)CC3)cc12 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4776019 OBDepict OH O O O O IC50 = 310.0 nM 340.38 O=C(O)CCCCCCOc1ccc2oc3ccccc3c(=O)c2c1 Homo sapiens CHEMBL4678700 single protein format
CHEMBL4757057 OBDepict OH O H H O N CH 3 CH 3 IC50 = 400.0 nM 377.48 Cc1cccc(Cc2cc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4748493 OBDepict OH O H H O N CH 3 O H 2 N CH 3 IC50 = 600.0 nM 420.51 Cc1cccc(Cc2c(C(N)=O)c3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format
CHEMBL4751045 OBDepict NH 2 O H H O N N CH 3 CH 3 IC50 = 950.0 nM 377.49 Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(N)=O)CC4)ccc3n2C)c1 Homo sapiens CHEMBL4678699 single protein format