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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813362

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.8
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.81
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.72
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.72
SLZL-THIALYSINEA,B,D,E,F2O6V0.8
SLZL-THIALYSINEA,B,D2J9K0.8
SLZL-THIALYSINEL1BM20.8
SLZL-THIALYSINEX3DIG0.8
SLZL-THIALYSINEA,B,C2J9J0.8
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A1C4W0.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID70.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID90.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2IDM0.7
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.73
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.7
MMEN-METHYL METHIONINEA,E,S,W1WDD0.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.7
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.7
MMEN-METHYL METHIONINE1,2,3,4,5,6,
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
1IR20.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.7
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.7
SCHS-METHYL-THIO-CYSTEINEA1AEX0.74
SCHS-METHYL-THIO-CYSTEINEA,B1K720.74
SCHS-METHYL-THIO-CYSTEINEA1YAL0.74
SCHS-METHYL-THIO-CYSTEINEA1FXD0.74
SCHS-METHYL-THIO-CYSTEINEA1YPV0.74
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.77
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.76
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.76
OMTS-DIOXYMETHIONINEA,B1EA00.72
OMTS-DIOXYMETHIONINEA1E930.72
OMTS-DIOXYMETHIONINEA2CAH0.72
OMTS-DIOXYMETHIONINEA,B,C,D2F1K0.72
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H
2ISA0.72
OMTS-DIOXYMETHIONINEA1MQF0.72
OMTS-DIOXYMETHIONINEA1M850.72
OMTS-DIOXYMETHIONINEA2CAG0.72
OMTS-DIOXYMETHIONINEA1H7K0.72
OMTS-DIOXYMETHIONINEA1NM00.72
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.72
OMTS-DIOXYMETHIONINEA1H6N0.72
P1LS-PALMITOYL-L-CYSTEINEA2J3T0.7
P1LS-PALMITOYL-L-CYSTEINED,E2J3W0.7
P1LS-PALMITOYL-L-CYSTEINEA,B,C,D2CFH0.7
P1LS-PALMITOYL-L-CYSTEINEA2C0J0.7
P1LS-PALMITOYL-L-CYSTEINEA,B2J3R0.7
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
N2CN,S-DIMETHYLCYSTEINEA1XVK0.74
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.74
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.74
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.74
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.76
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.7
OCYHYDROXYETHYLCYSTEINEA1VSH0.77
OCYHYDROXYETHYLCYSTEINEA3FV80.77
OCYHYDROXYETHYLCYSTEINEA3FI30.77
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.77
OCYHYDROXYETHYLCYSTEINEA1VSI0.77
OCYHYDROXYETHYLCYSTEINEA1VSJ0.77
OCYHYDROXYETHYLCYSTEINEA1VSD0.77
OCYHYDROXYETHYLCYSTEINEA3FI20.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.77
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.77
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.74
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.74
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.74
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.73
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.74
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.8
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.8
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.8
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
C2JQ70.71
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
A1E9W0.71
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
B1OLN0.71
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
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.81
SMCS-METHYLCYSTEINEA1U8B0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.81
SMCS-METHYLCYSTEINEA1FQ40.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.81
SMCS-METHYLCYSTEINEI1E820.81
SMCS-METHYLCYSTEINEI1E810.81
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.81
SMCS-METHYLCYSTEINEA1LFO0.81
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.81
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.81
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
1IR20.81
SMCS-METHYLCYSTEINEA1ZGW0.81
SMCS-METHYLCYSTEINEE,I1EPN0.81
SMCS-METHYLCYSTEINEA,B,C2OB20.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.81
SMCS-METHYLCYSTEINEP1CZI0.81
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.81
SMCS-METHYLCYSTEINEA,I1GVT0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.81
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.81
SMCS-METHYLCYSTEINEA1EH70.81
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.81
SMCS-METHYLCYSTEINEA1WPK0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.81
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.81
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.78
MHOS-OXYMETHIONINEA,B2A9E0.74
MHOS-OXYMETHIONINEA1ST20.74
MHOS-OXYMETHIONINEA1NLR0.74
MHOS-OXYMETHIONINEA2IDU0.74
MHOS-OXYMETHIONINEA3D940.74
MHOS-OXYMETHIONINEA1EK00.74
MHOS-OXYMETHIONINEA1UP20.74
MHOS-OXYMETHIONINEA1XJO0.74
MHOS-OXYMETHIONINEA,E2IUF0.74
MHOS-OXYMETHIONINEA1SF50.74
MHOS-OXYMETHIONINEA1UP00.74
MHOS-OXYMETHIONINEA9PTI0.74
MHOS-OXYMETHIONINEA2IDT0.74
MHOS-OXYMETHIONINEA2QDV0.74
MHOS-OXYMETHIONINEA2QDW0.74
MHOS-OXYMETHIONINEA,B1F4G0.74
MHOS-OXYMETHIONINEA,B2IQF0.74
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.79
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
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.71
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.83
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.83
SCYS-ACETYL-CYSTEINEA,B2P8U0.83
SCYS-ACETYL-CYSTEINEA2FA30.83
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.83
SCYS-ACETYL-CYSTEINEA1MJA0.83
SCYS-ACETYL-CYSTEINEA1HNH0.83
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.83
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.83
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.83
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.83
SCYS-ACETYL-CYSTEINEA2BV50.83
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.83
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.73
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.73
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.7
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.73
MCSMALONYL CYSTEINEA,B,C,D2JFK0.75
CSAS-ACETONYLCYSTEINEA,B1DWQ0.8
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.8
SMEMETHIONINE SULFOXIDEA1GWF0.74
SMEMETHIONINE SULFOXIDEA2JUY0.74
SMEMETHIONINE SULFOXIDEA2O7A0.74
SMEMETHIONINE SULFOXIDEA2ATM0.74
SMEMETHIONINE SULFOXIDEA,B1GM90.74
SMEMETHIONINE SULFOXIDEA1BA60.74
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.74
SMEMETHIONINE SULFOXIDEA,B1GM70.74
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.74
SMEMETHIONINE SULFOXIDEA,B1GKF0.74
SMEMETHIONINE SULFOXIDEA1WMF0.74
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.7
MEDD-METHIONINEA1Y9Q0.78
MEDD-METHIONINEA,B2Q330.78
MEDD-METHIONINEA1ZUE0.78
MEDD-METHIONINEA1KQ00.78
MEDD-METHIONINEA,B3GP40.78
MEDD-METHIONINEA1TKJ0.78
SHCS-HEXYLCYSTEINEI,J1GSS0.8
SDCS-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINEA,B,C1R1O0.7
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
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.71
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.78
CSRS-ARSONOCYSTEINEA1SK10.7
CSRS-ARSONOCYSTEINEA1JZW0.7
CSRS-ARSONOCYSTEINEA1OKG0.7
CSRS-ARSONOCYSTEINEA1LJU0.7