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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404591

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.76
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFU0.71
CSZS-SELANYL CYSTEINEA1KMK0.71
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFV0.71
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.72
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.72
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.74
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.74
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.74
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.74
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.74
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.75
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.81
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.81
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.81
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.81
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.81
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.81
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.81
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.81
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.81
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.75
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.72
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.72
CSAS-ACETONYLCYSTEINEA,B1DWQ0.75
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.7
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.71
SHCS-HEXYLCYSTEINEI,J1GSS0.72
MHOS-OXYMETHIONINEA,B2A9E0.72
MHOS-OXYMETHIONINEA1ST20.72
MHOS-OXYMETHIONINEA1NLR0.72
MHOS-OXYMETHIONINEA2IDU0.72
MHOS-OXYMETHIONINEA3D940.72
MHOS-OXYMETHIONINEA1EK00.72
MHOS-OXYMETHIONINEA1UP20.72
MHOS-OXYMETHIONINEA1XJO0.72
MHOS-OXYMETHIONINEA,E2IUF0.72
MHOS-OXYMETHIONINEA1SF50.72
MHOS-OXYMETHIONINEA1UP00.72
MHOS-OXYMETHIONINEA9PTI0.72
MHOS-OXYMETHIONINEA2IDT0.72
MHOS-OXYMETHIONINEA2QDV0.72
MHOS-OXYMETHIONINEA2QDW0.72
MHOS-OXYMETHIONINEA,B1F4G0.72
MHOS-OXYMETHIONINEA,B2IQF0.72
OCYHYDROXYETHYLCYSTEINEA1VSH0.75
OCYHYDROXYETHYLCYSTEINEA3FV80.75
OCYHYDROXYETHYLCYSTEINEA3FI30.75
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.75
OCYHYDROXYETHYLCYSTEINEA1VSI0.75
OCYHYDROXYETHYLCYSTEINEA1VSJ0.75
OCYHYDROXYETHYLCYSTEINEA1VSD0.75
OCYHYDROXYETHYLCYSTEINEA3FI20.75
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.71
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.71
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.75
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.81
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.79
SMCS-METHYLCYSTEINEA1U8B0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.79
SMCS-METHYLCYSTEINEA1FQ40.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.79
SMCS-METHYLCYSTEINEI1E820.79
SMCS-METHYLCYSTEINEI1E810.79
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.79
SMCS-METHYLCYSTEINEA1LFO0.79
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.79
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.79
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
1IR20.79
SMCS-METHYLCYSTEINEA1ZGW0.79
SMCS-METHYLCYSTEINEE,I1EPN0.79
SMCS-METHYLCYSTEINEA,B,C2OB20.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.79
SMCS-METHYLCYSTEINEP1CZI0.79
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.79
SMCS-METHYLCYSTEINEA,I1GVT0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.79
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.79
SMCS-METHYLCYSTEINEA1EH70.79
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.79
SMCS-METHYLCYSTEINEA1WPK0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.79
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.79
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.72
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.71
CSBCYS BOUND TO LEAD IONA1B6G0.71
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A1C4W0.74
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID70.74
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID90.74
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2IDM0.74
OMTS-DIOXYMETHIONINEA,B1EA00.73
OMTS-DIOXYMETHIONINEA1E930.73
OMTS-DIOXYMETHIONINEA2CAH0.73
OMTS-DIOXYMETHIONINEA,B,C,D2F1K0.73
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H
2ISA0.73
OMTS-DIOXYMETHIONINEA1MQF0.73
OMTS-DIOXYMETHIONINEA1M850.73
OMTS-DIOXYMETHIONINEA2CAG0.73
OMTS-DIOXYMETHIONINEA1H7K0.73
OMTS-DIOXYMETHIONINEA1NM00.73
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.73
OMTS-DIOXYMETHIONINEA1H6N0.73
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.74
MEDD-METHIONINEA1Y9Q0.76
MEDD-METHIONINEA,B2Q330.76
MEDD-METHIONINEA1ZUE0.76
MEDD-METHIONINEA1KQ00.76
MEDD-METHIONINEA,B3GP40.76
MEDD-METHIONINEA1TKJ0.76
SCHS-METHYL-THIO-CYSTEINEA1AEX0.72
SCHS-METHYL-THIO-CYSTEINEA,B1K720.72
SCHS-METHYL-THIO-CYSTEINEA1YAL0.72
SCHS-METHYL-THIO-CYSTEINEA1FXD0.72
SCHS-METHYL-THIO-CYSTEINEA1YPV0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.78
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.78
SCYS-ACETYL-CYSTEINEA,B2P8U0.78
SCYS-ACETYL-CYSTEINEA2FA30.78
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.78
SCYS-ACETYL-CYSTEINEA1MJA0.78
SCYS-ACETYL-CYSTEINEA1HNH0.78
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.78
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.78
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.78
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.78
SCYS-ACETYL-CYSTEINEA2BV50.78
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.78
N2CN,S-DIMETHYLCYSTEINEA1XVK0.72
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.72
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.72
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.72
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.75
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.75
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.74
CSRS-ARSONOCYSTEINEA1SK10.75
CSRS-ARSONOCYSTEINEA1JZW0.75
CSRS-ARSONOCYSTEINEA1OKG0.75
CSRS-ARSONOCYSTEINEA1LJU0.75
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
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.74
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.78
CZZTHIARSAHYDROXY-CYSTEINEA1J9B0.71
SLZL-THIALYSINEA,B,D,E,F2O6V0.78
SLZL-THIALYSINEA,B,D2J9K0.78
SLZL-THIALYSINEL1BM20.78
SLZL-THIALYSINEX3DIG0.78
SLZL-THIALYSINEA,B,C2J9J0.78
2COS-HYDROPEROXYCYSTEINEA3ELN0.7
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.74
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.74
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.74
SDCS-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINEA,B,C1R1O0.72
MCSMALONYL CYSTEINEA,B,C,D2JFK0.77
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.7
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.72
SMEMETHIONINE SULFOXIDEA1GWF0.72
SMEMETHIONINE SULFOXIDEA2JUY0.72
SMEMETHIONINE SULFOXIDEA2O7A0.72
SMEMETHIONINE SULFOXIDEA2ATM0.72
SMEMETHIONINE SULFOXIDEA,B1GM90.72
SMEMETHIONINE SULFOXIDEA1BA60.72
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.72
SMEMETHIONINE SULFOXIDEA,B1GM70.72
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.72
SMEMETHIONINE SULFOXIDEA,B1GKF0.72
SMEMETHIONINE SULFOXIDEA1WMF0.72