HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9NRG4 | SMYD2_HUMAN | N-lysine methyltransferase SMYD2 (SMYD2)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // TPR_11_7 ]

download pymol session

[ Domain: "SET domain-like" // SET_5,zf-MYND ]

download pymol session



[ 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
CHEMBL3590526 OBDepict O NH O HO H N H N O N H Cl Cl IC50 = 2.8 nM 577.55 O=C1COc2c(cccc2[C@@H](O)CNCCN(C(=O)CCNCCc2ccc(Cl)c(Cl)c2)C2CCCCC2)N1 Homo sapiens CHEMBL3592282 single protein format
CHEMBL3590527 OBDepict O NH O HO H N H N O N H Cl Cl IC50 = 5.6 nM 577.55 O=C1COc2c(cccc2[C@H](O)CNCCN(C(=O)CCNCCc2ccc(Cl)c(Cl)c2)C2CCCCC2)N1 Homo sapiens CHEMBL3592282 single protein format
CHEMBL4536230 OBDepict CH 3 N N H 2 N N N N O N N IC50 = 6.0 nM 488.64 Cc1nc(N)c2ncn(C3CN(C(=O)c4ccn(CC5CCN(C6C=CCCCC6)CC5)c4)C3)c2n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4520134 OBDepict CH 3 N H 2 N N N H 3 C N O N N H IC50 = 8.0 nM 501.68 Cc1cc2c(ncn2C2(C)CN(C(=O)c3ccn(CC4CCN([C@H]5C=CCCCC5)CC4)c3)C2)c(N)n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4756148 OBDepict O HN N N O N Cl Cl IC50 = 12.0 nM 553.53 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4798655 OBDepict O N N Cl Cl N N H O N IC50 = 17.0 nM 580.56 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4754902 OBDepict O N H N N N N N H IC50 = 17.0 nM 536.72 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3818487 OBDepict N N N N H N H N F O O CH 3 Cl HO F F Cl IC50 = 19.0 nM 543.33 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cc(F)cc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4449427 OBDepict CH 3 N N H 2 N N N N O N N IC50 = 23.0 nM 490.66 Cc1nc(N)c2ncn(C3CN(C(=O)c4ccn(CC5CCN(C6CCCCCC6)CC5)c4)C3)c2n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4747370 OBDepict O N N Cl Cl N NH O N IC50 = 24.0 nM 594.59 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL3818617 OBDepict N N N N H N H N O O CH 3 Cl HO F F Cl IC50 = 27.0 nM 525.34 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4755178 OBDepict N NH O N N N N H IC50 = 28.0 nM 560.75 N#Cc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4792378 OBDepict N HN O N N N CH 3 IC50 = 31.0 nM 535.74 Cc1cccc(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4590955 OBDepict CH 3 N N NH 2 N N N O N N CH 3 N IC50 = 32.0 nM 505.67 Cc1nc(N)c2ncn(C3CN(C(=O)c4cc(CC5CCN(C6CCCCCC6)CC5)n(C)n4)C3)c2n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4763303 OBDepict O N H N N N N Cl Cl IC50 = 38.0 nM 566.58 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3819284 OBDepict N N N N H N H N O O CH 3 H 3 C HO F F Cl IC50 = 38.0 nM 504.93 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(C)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4762851 OBDepict CH 3 O HN N N HN O N IC50 = 39.0 nM 527.71 COc1cccc(CNC2CCN(c3ccccc3-c3cncc(C(=O)NCCCN4CCCC4)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4439045 OBDepict CH 3 N N NH 2 N N N O N N CH 3 N N IC50 = 40.0 nM 506.66 Cc1nc(N)c2ncn(C3CN(C(=O)c4cc(CN5CCN(C6CCCCCC6)CC5)n(C)n4)C3)c2n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4786535 OBDepict O N H N N N N H IC50 = 41.0 nM 535.74 O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3818080 OBDepict N N N N H N H N O O H 3 C Cl Cl OH F F Cl IC50 = 44.0 nM 559.79 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2ccc(Cl)c(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4777185 OBDepict O N O Cl Cl N N H O N IC50 = 48.0 nM 567.52 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4753578 OBDepict O N N N H N N H O N IC50 = 50.0 nM 550.71 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL3818322 OBDepict N N N N H N H N O O CH 3 Cl HO F F F Cl IC50 = 50.0 nM 543.33 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cccc(OC(F)(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4792254 OBDepict O HN N N HN O H 3 C N IC50 = 53.0 nM 537.71 Cc1cn(CCCCNC(=O)c2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)c2ccccc12 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4792451 OBDepict H 2 N N O N N H N HN O N IC50 = 57.0 nM 579.75 NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2-c2cncc(C(=O)NCCCN3CCCC3)c2)CC1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4761059 OBDepict O N O Cl Cl N HN O N IC50 = 57.0 nM 581.54 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4553357 OBDepict CH 3 N N H 2 N N N CH 3 N O N N CH 3 N N IC50 = 58.0 nM 520.69 Cc1nc(N)c2ncn(C3(C)CN(C(=O)c4cc(CN5CCN(C6CCCCCC6)CC5)n(C)n4)C3)c2n1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL4756232 OBDepict N NH O N N N O H 3 C IC50 = 59.0 nM 551.74 COc1cccc(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4790326 OBDepict O N H N N N N N H IC50 = 62.0 nM 536.72 O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3c[nH]c4ccccc34)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3819554 OBDepict N N N NH N H N O O H 3 C CH 3 Cl HO Cl IC50 = 71.0 nM 489.36 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cccc(OC)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4758985 OBDepict O N H N N N H O N IC50 = 75.0 nM 523.68 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2C(=O)NCCCCn2ccc3ccccc32)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL3818083 OBDepict N N N N H N N O O CH 3 OH Cl F F Cl IC50 = 80.0 nM 525.34 CCN(C(=O)CO)C1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL3818092 OBDepict N N N N H N N O O CH 3 OH CH 3 F F Cl IC50 = 80.0 nM 504.93 CCN(C(=O)CO)C1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(C)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4793995 OBDepict O N O Cl Cl N N H O N IC50 = 81.0 nM 595.57 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2OC2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL4750717 OBDepict Cl N N NH O N IC50 = 114.0 nM 531.14 O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccc(Cl)cc3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3818526 OBDepict N N N N H N N H N O O CH 3 Cl HO F F Cl IC50 = 119.0 nM 526.33 CCN(C(=O)CO)[C@H]1CN(/C(=NC#N)Nc2cccc(OC(F)F)n2)N=C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL2169920 OBDepict O NH O OH N H N O N H Cl Cl IC50 = 120.0 nM 577.55 O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1 Homo sapiens CHEMBL2173342 assay format
CHEMBL4778154 OBDepict O N H N N N N Cl Cl IC50 = 120.0 nM 566.58 O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4789744 OBDepict N NH O N N N Cl Cl IC50 = 138.0 nM 590.6 N#Cc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4760284 OBDepict O N H N N N Cl Cl IC50 = 165.0 nM 565.59 O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL418052 OBDepict NH 2 N N N N H O H OH H H HO S NH 2 H O HO IC50 = 180.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3399140 single protein format
CHEMBL4784082 OBDepict CH 3 N N HN O N IC50 = 211.0 nM 510.73 Cc1cccc(CCN2CCN(c3ccccc3-c3cccc(C(=O)NCCCN4CCCC4)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4788816 OBDepict CH 3 O N N HN O N IC50 = 273.0 nM 526.73 COc1cccc(CCN2CCN(c3ccccc3-c3cccc(C(=O)NCCCN4CCCC4)c3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL2169920 OBDepict O NH O OH N H N O N H Cl Cl Ki = 300.0 nM 577.55 O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1 Homo sapiens CHEMBL2173264 assay format
CHEMBL4750653 OBDepict Cl N N N NH O N IC50 = 305.0 nM 532.13 O=C(NCCCN1CCCC1)c1ccnc(-c2ccccc2N2CCN(CCc3ccc(Cl)cc3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4755146 OBDepict O N H N N N IC50 = 339.0 nM 496.7 O=C(NCCCN1CCCC1)c1cccc(-c2ccccc2N2CCN(CCc3ccccc3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL3590519 OBDepict O NH O OH N H N O N H IC50 = 440.0 nM 508.66 O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccccc3)C3CCCCC3)ccc(O)c2N1 Homo sapiens CHEMBL3592282 single protein format
CHEMBL4749867 OBDepict H 3 C O N N N N H O N IC50 = 440.0 nM 527.71 COc1cccc(CCN2CCN(c3ccccc3-c3cc(C(=O)NCCCN4CCCC4)ccn3)CC2)c1 Homo sapiens CHEMBL4681720 single protein format
CHEMBL4794738 OBDepict O N N H N Cl Cl N N H O N IC50 = 522.0 nM 581.55 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format
CHEMBL3818176 OBDepict N N N N H N N O O CH 3 OH CH 3 CH 3 F F Cl IC50 = 570.0 nM 518.95 CCN(C(=O)CO)C1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1cc(C)c(Cl)c(C)c1 Homo sapiens CHEMBL3821408 assay format
CHEMBL3414623 OBDepict N N H O N N N N CH 3 IC50 = 600.0 nM 574.77 Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12 Homo sapiens CHEMBL3420958 cell-based format
CHEMBL4440677 OBDepict H 3 C N H 3 C N N H 3 C N N O N N N N NH 2 IC50 = 760.0 nM 438.54 CC(C)N1CCN(Cc2cc(C(=O)N3CC(n4cnc5c(N)ncnc54)C3)nn2C)CC1 Homo sapiens CHEMBL4376141 cell-based format
CHEMBL3819277 OBDepict N N N HN N N O O CH 3 OH F F Cl IC50 = 800.0 nM 490.9 CCN(C(=O)CO)C1CN(/C(=NC#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)cc1 Homo sapiens CHEMBL3821408 assay format
CHEMBL4798717 OBDepict O N H N N N N O Cl Cl IC50 = 891.0 nM 566.53 O=C(NCCCN1CCCC1)c1cncc(-c2ccccc2N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 Homo sapiens CHEMBL4703275 cell-based format