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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506624

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSAS-ACETONYLCYSTEINEA,B1DWQ0.84
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.79
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.79
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.79
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.79
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.79
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.74
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.87
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.87
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.87
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.87
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.87
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.87
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.87
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.87
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.87
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.78
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.78
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.76
2COS-HYDROPEROXYCYSTEINEA3ELN0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.71
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.79
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.79
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.73
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.77
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.79
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.79
CSSS-MERCAPTOCYSTEINEA1RHD0.71
CSSS-MERCAPTOCYSTEINEA1XLW0.71
CSSS-MERCAPTOCYSTEINEA2BAL0.71
CSSS-MERCAPTOCYSTEINEA,B1FTC0.71
CSSS-MERCAPTOCYSTEINEA2QCF0.71
CSSS-MERCAPTOCYSTEINEA1E2U0.71
CSSS-MERCAPTOCYSTEINEA,B2QCD0.71
CSSS-MERCAPTOCYSTEINEA1E9V0.71
CSSS-MERCAPTOCYSTEINEA,B1EUD0.71
CSSS-MERCAPTOCYSTEINEA2J4C0.71
CSSS-MERCAPTOCYSTEINEA1DP20.71
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2C1D0.71
CSSS-MERCAPTOCYSTEINEA1RHS0.71
CSSS-MERCAPTOCYSTEINEA1XLU0.71
CSSS-MERCAPTOCYSTEINEA2VS10.71
CSSS-MERCAPTOCYSTEINEA,B1H320.71
CSSS-MERCAPTOCYSTEINEA2BAQ0.71
CSSS-MERCAPTOCYSTEINEA1BOH0.71
CSSS-MERCAPTOCYSTEINEA1XLV0.71
CSSS-MERCAPTOCYSTEINEA,B2V2K0.71
CSSS-MERCAPTOCYSTEINEA1OKG0.71
CSSS-MERCAPTOCYSTEINEA2QCE0.71
CSSS-MERCAPTOCYSTEINEA1GMX0.71
CSSS-MERCAPTOCYSTEINEA1KMJ0.71
CSSS-MERCAPTOCYSTEINEA,B1URH0.71
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2OZ10.71
CSSS-MERCAPTOCYSTEINEA,B1BI30.71
CSSS-MERCAPTOCYSTEINED,E,F,G,H1MD20.71
CSSS-MERCAPTOCYSTEINEA1BI00.71
CSSS-MERCAPTOCYSTEINEA1FWZ0.71
CSSS-MERCAPTOCYSTEINEA,B1GN90.71
CSSS-MERCAPTOCYSTEINEA,B1ELU0.71
CSSS-MERCAPTOCYSTEINEA1BI10.71
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F2CB20.71
CSSS-MERCAPTOCYSTEINEA1BOI0.71
CSSS-MERCAPTOCYSTEINEA1E0C0.71
CSSS-MERCAPTOCYSTEINEA1UAR0.71
CSSS-MERCAPTOCYSTEINEA1W9M0.71
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
1H310.71
CSSS-MERCAPTOCYSTEINEA,B,C,D3GZD0.71
CSSS-MERCAPTOCYSTEINEA2QCM0.71
CSSS-MERCAPTOCYSTEINEA,B1H330.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.79
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.79
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.79
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.79
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.79
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.79
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.79
CMTO-METHYLCYSTEINEG1OMW0.77
CMTO-METHYLCYSTEINEA,G3CIK0.77
CMTO-METHYLCYSTEINEA1DOA0.77
CSRS-ARSONOCYSTEINEA1SK10.77
CSRS-ARSONOCYSTEINEA1JZW0.77
CSRS-ARSONOCYSTEINEA1OKG0.77
CSRS-ARSONOCYSTEINEA1LJU0.77
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.8
CSBCYS BOUND TO LEAD IONA1B6G0.72
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.72