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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02513720

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SCHS-METHYL-THIO-CYSTEINEA1AEX0.73
SCHS-METHYL-THIO-CYSTEINEA,B1K720.73
SCHS-METHYL-THIO-CYSTEINEA1YAL0.73
SCHS-METHYL-THIO-CYSTEINEA1FXD0.73
SCHS-METHYL-THIO-CYSTEINEA1YPV0.73
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
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.71
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.71
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.71
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.71
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.78
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.78
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.78
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.78
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.78
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.78
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.73
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.73
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.73
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.75
KORL-HOMOCYSTEINE-S-N-S-L-CYSTEINEA2CI10.76
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.71
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
C2R000.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A,B1NWH0.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A1NX60.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A1PU20.72
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A,B1Q2X0.72
CSRS-ARSONOCYSTEINEA1SK10.72
CSRS-ARSONOCYSTEINEA1JZW0.72
CSRS-ARSONOCYSTEINEA1OKG0.72
CSRS-ARSONOCYSTEINEA1LJU0.72
MEDD-METHIONINEA1Y9Q0.7
MEDD-METHIONINEA,B2Q330.7
MEDD-METHIONINEA1ZUE0.7
MEDD-METHIONINEA1KQ00.7
MEDD-METHIONINEA,B3GP40.7
MEDD-METHIONINEA1TKJ0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.72
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.72
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.72