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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206600

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.79
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.79
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.79
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.79
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.79
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.79
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.79
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.79
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.79
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
CZZTHIARSAHYDROXY-CYSTEINEA1J9B0.73
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.7
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.7
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.7
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.76
SMEMETHIONINE SULFOXIDEA1GWF0.71
SMEMETHIONINE SULFOXIDEA2JUY0.71
SMEMETHIONINE SULFOXIDEA2O7A0.71
SMEMETHIONINE SULFOXIDEA2ATM0.71
SMEMETHIONINE SULFOXIDEA,B1GM90.71
SMEMETHIONINE SULFOXIDEA1BA60.71
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.71
SMEMETHIONINE SULFOXIDEA,B1GM70.71
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.71
SMEMETHIONINE SULFOXIDEA,B1GKF0.71
SMEMETHIONINE SULFOXIDEA1WMF0.71
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.7
SCHS-METHYL-THIO-CYSTEINEA1AEX0.7
SCHS-METHYL-THIO-CYSTEINEA,B1K720.7
SCHS-METHYL-THIO-CYSTEINEA1YAL0.7
SCHS-METHYL-THIO-CYSTEINEA1FXD0.7
SCHS-METHYL-THIO-CYSTEINEA1YPV0.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.72
SLZL-THIALYSINEA,B,D,E,F2O6V0.79
SLZL-THIALYSINEA,B,D2J9K0.79
SLZL-THIALYSINEL1BM20.79
SLZL-THIALYSINEX3DIG0.79
SLZL-THIALYSINEA,B,C2J9J0.79
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.79
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.7
SHCS-HEXYLCYSTEINEI,J1GSS0.74
MHOS-OXYMETHIONINEA,B2A9E0.71
MHOS-OXYMETHIONINEA1ST20.71
MHOS-OXYMETHIONINEA1NLR0.71
MHOS-OXYMETHIONINEA2IDU0.71
MHOS-OXYMETHIONINEA3D940.71
MHOS-OXYMETHIONINEA1EK00.71
MHOS-OXYMETHIONINEA1UP20.71
MHOS-OXYMETHIONINEA1XJO0.71
MHOS-OXYMETHIONINEA,E2IUF0.71
MHOS-OXYMETHIONINEA1SF50.71
MHOS-OXYMETHIONINEA1UP00.71
MHOS-OXYMETHIONINEA9PTI0.71
MHOS-OXYMETHIONINEA2IDT0.71
MHOS-OXYMETHIONINEA2QDV0.71
MHOS-OXYMETHIONINEA2QDW0.71
MHOS-OXYMETHIONINEA,B1F4G0.71
MHOS-OXYMETHIONINEA,B2IQF0.71
CSBCYS BOUND TO LEAD IONA1B6G0.73
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
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.72
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.83
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.76
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.78
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.75
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
MCSMALONYL CYSTEINEA,B,C,D2JFK0.75
MEDD-METHIONINEA1Y9Q0.75
MEDD-METHIONINEA,B2Q330.75
MEDD-METHIONINEA1ZUE0.75
MEDD-METHIONINEA1KQ00.75
MEDD-METHIONINEA,B3GP40.75
MEDD-METHIONINEA1TKJ0.75
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.75
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.71
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.75
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.7
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFU0.73
CSZS-SELANYL CYSTEINEA1KMK0.73
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFV0.73
DCYD-CYSTEINEA,D2Q3I0.71
DCYD-CYSTEINEA,B2AOU0.71
DCYD-CYSTEINEA,B,E,F1PCG0.71
DCYD-CYSTEINEA,B,C,D2R3C0.71
DCYD-CYSTEINEA,B,C,H,K,L2R5D0.71
DCYD-CYSTEINEA1C4B0.71
DCYD-CYSTEINEA,B,C,D3BOG0.71
DCYD-CYSTEINEA,D1CZQ0.71
DCYD-CYSTEINEA,B,C,D3FIE0.71
DCYD-CYSTEINEA,B2Q330.71
DCYD-CYSTEINEA,B,C,H,K,L2R5B0.71
DCYD-CYSTEINEA1XBH0.71
DCYD-CYSTEINEA2JUE0.71
DCYD-CYSTEINEA1F570.71
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.79
SCYS-ACETYL-CYSTEINEA,B2P8U0.79
SCYS-ACETYL-CYSTEINEA2FA30.79
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.79
SCYS-ACETYL-CYSTEINEA1MJA0.79
SCYS-ACETYL-CYSTEINEA1HNH0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.79
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.79
SCYS-ACETYL-CYSTEINEA2BV50.79
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.79
N2CN,S-DIMETHYLCYSTEINEA1XVK0.71
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.71
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.71
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.77
SMCS-METHYLCYSTEINEA1U8B0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.77
SMCS-METHYLCYSTEINEA1FQ40.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.77
SMCS-METHYLCYSTEINEI1E820.77
SMCS-METHYLCYSTEINEI1E810.77
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.77
SMCS-METHYLCYSTEINEA1LFO0.77
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.77
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.77
SMCS-METHYLCYSTEINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.77
SMCS-METHYLCYSTEINEA1ZGW0.77
SMCS-METHYLCYSTEINEE,I1EPN0.77
SMCS-METHYLCYSTEINEA,B,C2OB20.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.77
SMCS-METHYLCYSTEINEP1CZI0.77
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.77
SMCS-METHYLCYSTEINEA,I1GVT0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.77
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.77
SMCS-METHYLCYSTEINEA1EH70.77
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.77
SMCS-METHYLCYSTEINEA1WPK0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.77
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.76
SDCS-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINEA,B,C1R1O0.7
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.83
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.83
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.76
OCYHYDROXYETHYLCYSTEINEA1VSH0.76
OCYHYDROXYETHYLCYSTEINEA3FV80.76
OCYHYDROXYETHYLCYSTEINEA3FI30.76
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.76
OCYHYDROXYETHYLCYSTEINEA1VSI0.76
OCYHYDROXYETHYLCYSTEINEA1VSJ0.76
OCYHYDROXYETHYLCYSTEINEA1VSD0.76
OCYHYDROXYETHYLCYSTEINEA3FI20.76
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
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.71
CSAS-ACETONYLCYSTEINEA,B1DWQ0.76