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52 SMILES Strings for Methylthioadenosine Nucleosidase(MTAN)

Compound NameSMILES String
BDBM22113 CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
BDBM22110 CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1
BDBM22112 CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1
BDBM36435 CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
BDBM36436 CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
BDBM36494 CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
BDBM36495 Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O
BDBM36496 Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O
BDBM36497 Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
BDBM36498 Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
BDBM50136916 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12
BDBM50136917 CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136918 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(C)c2)cc2c(Cl)[nH]nc12
BDBM50136919 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(F)c2)cc2c(Cl)[nH]nc12
BDBM50136920 CC(C)CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136921 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(Cl)[nH]nc12
BDBM50136922 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)c2)cc2c(Cl)[nH]nc12
BDBM50136923 CC(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136924 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2[nH]nc(C)c2c1
BDBM50136925 Cc1n[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
BDBM50136926 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(C)n[nH]c12
BDBM50136927 Clc1n[nH]c2c(NCC3CC3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
BDBM50136928 Clc1n[nH]c2c(NCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
BDBM50136930 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(Cl)[nH]nc12
BDBM50136931 CC(C)(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136932 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2[nH]ncc2c1
BDBM50136933 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2[nH]nc(Cl)c2c1
BDBM50136934 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12
BDBM50136935 CSc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(Cl)c2c1
BDBM50136936 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(Cl)[nH]nc12
BDBM50136937 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2c[nH]nc2c1
BDBM50136938 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(C)n[nH]c12
BDBM50136939 CCc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(C)c2c1
BDBM50136940 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(Cl)[nH]nc12
BDBM50136941 Clc1n[nH]c2c(NCCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
BDBM50136942 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136943 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(CCO)c2)cc2c(Cl)[nH]nc12
BDBM50136944 CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136915 Clc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]ncc2c1
BDBM50136929 Clc1ccc(cc1)S(=O)(=O)Nc1ccc2c[nH]nc2c1
BDBM50136905 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(C)n[nH]c12
BDBM50136906 CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 |(1.06,-.29,;2.39,.47,;2.39,2.01,;3.72,-.29,;5.05,.48,;6.39,-.29,;6.4,-1.83,;5.07,-2.6,;5.07,-4.15,;3.74,-4.92,;3.74,-6.46,;2.2,-6.46,;5.28,-6.46,;3.74,-8,;2.41,-8.77,;2.41,-10.31,;3.74,-11.08,;3.74,-12.62,;5.09,-10.31,;5.09,-8.77,;6.4,-4.91,;7.75,-4.14,;9.2,-4.6,;9.97,-5.93,;10.11,-3.37,;9.2,-2.11,;7.75,-2.6,)|
BDBM50136907 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(Cl)[nH]nc12
BDBM50136908 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(C)n[nH]c12
BDBM50136909 CC(C)(C)CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
BDBM50136910 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12
BDBM50136911 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc2c(Cl)[nH]nc12
BDBM50136912 Clc1n[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
BDBM50136913 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cnc3ccccc3c2)cc2c(Cl)[nH]nc12
BDBM50136914 CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12
BDBM50170093 CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12
BDBM50183258 NC(CCSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c(N)ncnc12)C(O)=O