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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034457

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSAS-ACETONYLCYSTEINEA,B1DWQ0.74
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.72
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.77
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.73
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
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.85
AMEN-ACETYLMETHIONINEA,B2J4Y0.85
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.7
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.72
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.72
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.72
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.82
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.82
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.71
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.79
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.71
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.82
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.7
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.71
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.78
ALP2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-
DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
A1TEM0.73
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.73
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.73
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.73
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.72