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Q15746 | MYLK_HUMAN | "Myosin light chain kinase, smooth muscle" (MYLK)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_1 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set ]

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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
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 = 15.63 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3224487 single protein format
CHEMBL416056 OBDepict CH 3 O O HO CH 3 O N H N N H O Ki = 17.0 nM 467.48 COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL921716 single protein format
CHEMBL155929 OBDepict H 2 N N N CH 3 N H O IC50 = 18.0 nM 382.47 Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCCN)c4c21)CNC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL281948 OBDepict CH 3 O O HO CH 3 O N H N N H O Ki = 20.0 nM 467.48 COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL1646347 single protein format
CHEMBL281948 OBDepict CH 3 O O HO CH 3 O N H N N H O IC50 = 22.0 nM 467.48 COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL708209 single protein format
CHEMBL94678 OBDepict CH 3 O O HO CH 3 O N H N N H O IC50 = 25.0 nM 467.48 COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL708209 single protein format
CHEMBL348563 OBDepict N N N CH 3 OH N H O HO IC50 = 30.0 nM 410.43 Cn1c2ccc(O)cc2c2c3c(c4c5cc(O)ccc5n(CCC#N)c4c21)CNC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL156433 OBDepict N N N CH 3 O O N H CH 3 O IC50 = 32.0 nM 436.47 COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C)c4c1n2CCCC#N)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 40.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL841528 single protein format
CHEMBL347154 OBDepict N N N CH 3 O N H O O H 3 C IC50 = 49.0 nM 422.44 COc1ccc2c(c1)c1c3c(c4c5ccccc5n(CCC#N)c4c1n2C)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL348177 OBDepict N N N H 3 C O N H O IC50 = 55.0 nM 392.42 Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL156172 OBDepict H 3 C N CH 3 HO N N H 3 C O N H O IC50 = 120.0 nM 440.5 CN(C)CC(O)Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL157822 OBDepict CH 3 O N O N H N HO O H 3 C N CH 3 H 3 C IC50 = 120.0 nM 470.53 COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C)c4c1n2CC(O)CN(C)C)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL428496 OBDepict CH 3 O H O CH 3 O O H O O H CH 3 O CH 3 O IC50 = 170.0 nM 428.44 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O Homo sapiens CHEMBL1646347 single protein format
CHEMBL348902 OBDepict N N N H 3 C O N H O O H 3 C O CH 3 IC50 = 180.0 nM 452.47 COc1ccc2c(c1)c1c3c(c4c5cc(OC)ccc5n(CCC#N)c4c1n2C)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL345593 OBDepict N N N H 3 C O O N H H 3 C O IC50 = 200.0 nM 422.44 COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C)c4c1n2CCC#N)C(=O)NC3=O Homo sapiens CHEMBL747420 single protein format
CHEMBL157967 OBDepict H 3 C O N H O N H N O N H 3 C H 3 C CH 3 IC50 = 220.0 nM 456.55 COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(CCCN(C)C)c35)CNC4=O)c2c1 Homo sapiens CHEMBL747420 single protein format
CHEMBL157892 OBDepict CH 3 N H 3 C N N CH 3 N H O IC50 = 250.0 nM 410.52 CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3 Homo sapiens CHEMBL747420 single protein format
CHEMBL249089 OBDepict I S N O O HN Ki = 300.0 nM 416.28 O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1 Homo sapiens CHEMBL1646347 single protein format
CHEMBL157528 OBDepict CH 3 N H 3 C N N H N H HO O OH IC50 = 310.0 nM 428.49 CN(C)CCCn1c2ccc(O)cc2c2c3c(c4c5cc(O)ccc5[nH]c4c21)C(=O)NC3 Homo sapiens CHEMBL747420 single protein format
CHEMBL154245 OBDepict CH 3 N H 3 C N N H N H O IC50 = 390.0 nM 396.49 CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 Homo sapiens CHEMBL747420 single protein format
CHEMBL594151 OBDepict CH 3 O OH O O H 3 C O HO IC50 = 690.0 nM 288.25 COc1cc(O)c2c(c1)C1=CC(=O)C(O)=CC1(C)OC2=O Homo sapiens CHEMBL1046489 single protein format
CHEMBL1271447 OBDepict O S HN O N N H N N IC50 = 900.0 nM 549.7 O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccc2ccccc2c1 Homo sapiens CHEMBL1274488 single protein format