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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00482408

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CMTO-METHYLCYSTEINEG1OMW0.83
CMTO-METHYLCYSTEINEA,G3CIK0.83
CMTO-METHYLCYSTEINEA1DOA0.83
CSSS-MERCAPTOCYSTEINEA1RHD0.7
CSSS-MERCAPTOCYSTEINEA1XLW0.7
CSSS-MERCAPTOCYSTEINEA2BAL0.7
CSSS-MERCAPTOCYSTEINEA,B1FTC0.7
CSSS-MERCAPTOCYSTEINEA2QCF0.7
CSSS-MERCAPTOCYSTEINEA1E2U0.7
CSSS-MERCAPTOCYSTEINEA,B2QCD0.7
CSSS-MERCAPTOCYSTEINEA1E9V0.7
CSSS-MERCAPTOCYSTEINEA,B1EUD0.7
CSSS-MERCAPTOCYSTEINEA2J4C0.7
CSSS-MERCAPTOCYSTEINEA1DP20.7
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2C1D0.7
CSSS-MERCAPTOCYSTEINEA1RHS0.7
CSSS-MERCAPTOCYSTEINEA1XLU0.7
CSSS-MERCAPTOCYSTEINEA2VS10.7
CSSS-MERCAPTOCYSTEINEA,B1H320.7
CSSS-MERCAPTOCYSTEINEA2BAQ0.7
CSSS-MERCAPTOCYSTEINEA1BOH0.7
CSSS-MERCAPTOCYSTEINEA1XLV0.7
CSSS-MERCAPTOCYSTEINEA,B2V2K0.7
CSSS-MERCAPTOCYSTEINEA1OKG0.7
CSSS-MERCAPTOCYSTEINEA2QCE0.7
CSSS-MERCAPTOCYSTEINEA1GMX0.7
CSSS-MERCAPTOCYSTEINEA1KMJ0.7
CSSS-MERCAPTOCYSTEINEA,B1URH0.7
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2OZ10.7
CSSS-MERCAPTOCYSTEINEA,B1BI30.7
CSSS-MERCAPTOCYSTEINED,E,F,G,H1MD20.7
CSSS-MERCAPTOCYSTEINEA1BI00.7
CSSS-MERCAPTOCYSTEINEA1FWZ0.7
CSSS-MERCAPTOCYSTEINEA,B1GN90.7
CSSS-MERCAPTOCYSTEINEA,B1ELU0.7
CSSS-MERCAPTOCYSTEINEA1BI10.7
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F2CB20.7
CSSS-MERCAPTOCYSTEINEA1BOI0.7
CSSS-MERCAPTOCYSTEINEA1E0C0.7
CSSS-MERCAPTOCYSTEINEA1UAR0.7
CSSS-MERCAPTOCYSTEINEA1W9M0.7
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
1H310.7
CSSS-MERCAPTOCYSTEINEA,B,C,D3GZD0.7
CSSS-MERCAPTOCYSTEINEA2QCM0.7
CSSS-MERCAPTOCYSTEINEA,B1H330.7
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.78
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.76
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.76
C6CS-CYCLOHEXYL THIOCYSTEINEA1A3U0.72
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.7
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.72
OASO-ACETYLSERINEA2C580.72
OASO-ACETYLSERINEA1EBV0.72
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.72
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.76
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.76
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.76
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.74
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.76
SCHS-METHYL-THIO-CYSTEINEA1AEX0.76
SCHS-METHYL-THIO-CYSTEINEA,B1K720.76
SCHS-METHYL-THIO-CYSTEINEA1YAL0.76
SCHS-METHYL-THIO-CYSTEINEA1FXD0.76
SCHS-METHYL-THIO-CYSTEINEA1YPV0.76
CSRS-ARSONOCYSTEINEA1SK10.72
CSRS-ARSONOCYSTEINEA1JZW0.72
CSRS-ARSONOCYSTEINEA1OKG0.72
CSRS-ARSONOCYSTEINEA1LJU0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.74
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.74
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.74
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.72
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.72