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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329773

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.74
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.76
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.73
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.75
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.78
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.78
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.83
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.83
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.83
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.83
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.83
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.83
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.83
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.83
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.83
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.75
CSSS-MERCAPTOCYSTEINEA1RHD0.74
CSSS-MERCAPTOCYSTEINEA1XLW0.74
CSSS-MERCAPTOCYSTEINEA2BAL0.74
CSSS-MERCAPTOCYSTEINEA,B1FTC0.74
CSSS-MERCAPTOCYSTEINEA2QCF0.74
CSSS-MERCAPTOCYSTEINEA1E2U0.74
CSSS-MERCAPTOCYSTEINEA,B2QCD0.74
CSSS-MERCAPTOCYSTEINEA1E9V0.74
CSSS-MERCAPTOCYSTEINEA,B1EUD0.74
CSSS-MERCAPTOCYSTEINEA2J4C0.74
CSSS-MERCAPTOCYSTEINEA1DP20.74
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2C1D0.74
CSSS-MERCAPTOCYSTEINEA1RHS0.74
CSSS-MERCAPTOCYSTEINEA1XLU0.74
CSSS-MERCAPTOCYSTEINEA2VS10.74
CSSS-MERCAPTOCYSTEINEA,B1H320.74
CSSS-MERCAPTOCYSTEINEA2BAQ0.74
CSSS-MERCAPTOCYSTEINEA1BOH0.74
CSSS-MERCAPTOCYSTEINEA1XLV0.74
CSSS-MERCAPTOCYSTEINEA,B2V2K0.74
CSSS-MERCAPTOCYSTEINEA1OKG0.74
CSSS-MERCAPTOCYSTEINEA2QCE0.74
CSSS-MERCAPTOCYSTEINEA1GMX0.74
CSSS-MERCAPTOCYSTEINEA1KMJ0.74
CSSS-MERCAPTOCYSTEINEA,B1URH0.74
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
2OZ10.74
CSSS-MERCAPTOCYSTEINEA,B1BI30.74
CSSS-MERCAPTOCYSTEINED,E,F,G,H1MD20.74
CSSS-MERCAPTOCYSTEINEA1BI00.74
CSSS-MERCAPTOCYSTEINEA1FWZ0.74
CSSS-MERCAPTOCYSTEINEA,B1GN90.74
CSSS-MERCAPTOCYSTEINEA,B1ELU0.74
CSSS-MERCAPTOCYSTEINEA1BI10.74
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F2CB20.74
CSSS-MERCAPTOCYSTEINEA1BOI0.74
CSSS-MERCAPTOCYSTEINEA1E0C0.74
CSSS-MERCAPTOCYSTEINEA1UAR0.74
CSSS-MERCAPTOCYSTEINEA1W9M0.74
CSSS-MERCAPTOCYSTEINEA,B,C,D,E,F,
G,H
1H310.74
CSSS-MERCAPTOCYSTEINEA,B,C,D3GZD0.74
CSSS-MERCAPTOCYSTEINEA2QCM0.74
CSSS-MERCAPTOCYSTEINEA,B1H330.74
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.77
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.75
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.73
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.74
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.74
CSAS-ACETONYLCYSTEINEA,B1DWQ0.8
CSRS-ARSONOCYSTEINEA1SK10.73
CSRS-ARSONOCYSTEINEA1JZW0.73
CSRS-ARSONOCYSTEINEA1OKG0.73
CSRS-ARSONOCYSTEINEA1LJU0.73
CMTO-METHYLCYSTEINEG1OMW0.73
CMTO-METHYLCYSTEINEA,G3CIK0.73
CMTO-METHYLCYSTEINEA1DOA0.73
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.8
CSBCYS BOUND TO LEAD IONA1B6G0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.75
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.75
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.75