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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201940

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A1T3T0.7
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,B,C,D,E,F,
G,H		1A9X0.7
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,D,E,H,I,L3D540.7
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID		A,B,C,D,E,F,
G,H		1CS00.7
CSAS-ACETONYLCYSTEINEA,B1DWQ0.75
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.73
KRI(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-
4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID		A1YCL0.84
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID		A1C220.73
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID		A1PFW0.73
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
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		C2R000.81
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A,B1NWH0.81
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A1NX60.81
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A1PU20.81
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE		A,B1Q2X0.81
H1D(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-
3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID		A2FQT0.81
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1JZ10.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1JYZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1JYY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z		2OX50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P		1GHO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1JZ00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H		1F490.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.73
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.75
MCSMALONYL CYSTEINEA,B,C,D2JFK0.74
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.77
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.71
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.78
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.78
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.78
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.78
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.78
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.78
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.78
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.78
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.78
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID		I1BZH0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID		A,B,C,D1MHH0.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.78
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.79
MEDD-METHIONINEA1Y9Q0.77
MEDD-METHIONINEA,B2Q330.77
MEDD-METHIONINEA1ZUE0.77
MEDD-METHIONINEA1KQ00.77
MEDD-METHIONINEA,B3GP40.77
MEDD-METHIONINEA1TKJ0.77
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.82
HYI(2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-
3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID		A2FQO0.81