SMILES for N-lysine methyltransferase KMT5A

CCCCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50353131

COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C

BDBM50300041

C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C

BDBM50323813

COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1

BDBM50498695

COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1O)N1CCCC1

BDBM50498696

COc1cc2nc(nc(NCCCCCCN(C)C)c2cc1OC)N1CCCC1

BDBM50498697

COc1cc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(NCCCCCN3CCCC3)c2cc1OC

BDBM50498698

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)CCCCN1CCCC1

BDBM50498699

COc1cc2nc(nc(N[C@H]3CC[C@H](CN)CC3)c2cc1OC)N1CCCC1 |r,wU:10.9,wD:13.13,(3.99,2.77,;3.99,1.54,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-2.65,-5.39,;-3.98,-6.17,;-5.32,-5.4,;-6.65,-6.18,;-6.65,-7.41,;-5.32,-3.86,;-3.99,-3.09,;,-.77,;1.33,-1.54,;2.66,-.77,;3.99,-1.54,;3.99,-2.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50498700

COc1cc2nc(nc(NCCCCCN3CCCCCC3)c2cc1OC)N1CCCC1

BDBM50498701

COc1cc2nc(nc(NCC(=O)NCCN3CCN(C)CC3)c2cc1OC)N1CCCC1

BDBM50498702

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)-c1ccc(cc1)C(F)(F)F

BDBM50498703

COc1ccc(cc1)-c1nc(NCCCCCN2CCCC2)c2cc(OC)c(OC)cc2n1

BDBM50498704

COc1cc2nc(Nc3ccc(cc3)C(F)(F)F)nc(NCCCCCN3CCCC3)c2cc1OC

BDBM50498705

COc1cc2nc(Nc3ccccc3)nc(NCCCCCN3CCCC3)c2cc1OC

BDBM50498706

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)c1ccc(cc1)[N+]([O-])=O

BDBM50498707

COc1ccc(cc1)N(C)c1nc(NCCCCCN2CCCC2)c2cc(OC)c(OC)cc2n1

BDBM50498708

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)CCCCCN1CCCC1

BDBM50498709

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)CCCN1CCCC1

BDBM50498710

COc1cc2nc(nc(NCC(=O)NCCN3CCNCC3)c2cc1OC)N1CCCC1

BDBM50498711

COc1cc2nc(nc(NCC(=O)NCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50498712

COc1cc2nc(nc(N[C@H]3CC[C@H](N)CC3)c2cc1OC)N1CCCC1 |r,wU:10.9,wD:13.13,(3.99,2.77,;3.99,1.54,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-2.65,-5.39,;-3.98,-6.17,;-5.32,-5.4,;-6.39,-6.02,;-5.32,-3.86,;-3.99,-3.09,;,-.77,;1.33,-1.54,;2.66,-.77,;3.99,-1.54,;3.99,-2.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50498713

COc1cc2nc(nc(NCC[C@@H]3CC[C@H](N)CC3)c2cc1OC)N1CCCC1 |r,wD:12.11,15.15,(3.99,2.77,;3.99,1.54,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-2.65,-5.4,;-3.98,-6.17,;-3.98,-7.71,;-5.31,-8.49,;-6.64,-7.72,;-7.71,-8.34,;-6.65,-6.18,;-5.32,-5.41,;,-.77,;1.33,-1.54,;2.66,-.77,;3.99,-1.54,;3.99,-2.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50498714

COc1cc2nc(nc(NCCCC3CCNCC3)c2cc1OC)N1CCCC1

BDBM50498715

C(CCNc1nc(nc2ccccc12)N1CCCC1)CCN1CCCC1

BDBM50498716

COc1ccc2nc(nc(NCCCCCN3CCCC3)c2c1)N1CCCC1

BDBM50498717

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1Cl)N1CCCC1

BDBM50498718

CCOc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50498719

COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCc1ccccc1)N1CCCC1

BDBM50498720

COCCCOc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50498721

COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCNC=O)N1CCCC1

BDBM50498722

COCCOc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM50498723

COc1ccc(Nc2nc(NCCCCCN3CCCC3)c3cc(OC)c(OC)cc3n2)cc1

BDBM50498724

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)c1ccccc1

BDBM50498725

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CC[C@H](C)C1 |r|

BDBM50498726

COc1cc2nc(nc(NCCNC(=O)CN3CCCC3)c2cc1OC)N1CCCC1

BDBM50498727

COc1cc2nc(nc(NCCCCCCN)c2cc1OC)N1CCCC1

BDBM50498728

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)-c1ccccc1

BDBM50498729

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CC(F)(F)C1

BDBM50498730

CCOc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OC)N1CCCC1

BDBM50498731

COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCCO)N1CCCC1

BDBM50498732

COc1cc2nc(Nc3ccc(F)cc3)nc(NCCCCCN3CCCC3)c2cc1OC

BDBM50498733

COc1ccc2c(NCCCCCN3CCCC3)nc(nc2c1)N1CCCC1

BDBM50498734

COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OC(C)C)N1CCCC1

BDBM50498735

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC(C)C)N1CCCC1

BDBM50498736

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)CCN1CCCC1

BDBM50086655

Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|

BDBM50536813

CN1CCCCC11CCN(CC1)C(=O)c1cccc(Br)c1

BDBM50536814

C[N+]1(C)CCCCC11CCN(CC1)C(=O)c1cccc(Br)c1

BDBM50536815

[H][C@@]12CN(C[C@]1([H])N(C)CCC2)C(=O)c1cccc(Br)c1 |r|

BDBM50548177

COc1cc2nc(nc(NCCCNC(=O)C=C)c2cc1OC)N1CCCC1

BDBM50548178

COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4

BDBM50548179

COc1cc2nc(nc(N(C)CCCNC(=O)C=C)c2cc1OC)N1CCCC1

BDBM50574672

CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1

BDBM50581147

CN(C)C(=O)c1ccc(cc1)-c1cc(Nc2ncnc(Cl)c2N)c(cc1F)N1CCN(C)CC1

BDBM50594083

COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC

BDBM50594106

COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1

BDBM50590375

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

BDBM588052

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

BDBM50075071

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C