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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130537

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.8
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.74
SCYS-ACETYL-CYSTEINEA,B2P8U0.74
SCYS-ACETYL-CYSTEINEA2FA30.74
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.74
SCYS-ACETYL-CYSTEINEA1MJA0.74
SCYS-ACETYL-CYSTEINEA1HNH0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.74
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.74
SCYS-ACETYL-CYSTEINEA2BV50.74
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.74
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.76
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.72
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.72
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
CSAS-ACETONYLCYSTEINEA,B1DWQ0.75
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.7
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.7
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.71
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.71
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.71
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.71
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.71
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.71
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.71
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.71
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.71
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.72
SHCS-HEXYLCYSTEINEI,J1GSS0.75
MHOS-OXYMETHIONINEA,B2A9E0.75
MHOS-OXYMETHIONINEA1ST20.75
MHOS-OXYMETHIONINEA1NLR0.75
MHOS-OXYMETHIONINEA2IDU0.75
MHOS-OXYMETHIONINEA3D940.75
MHOS-OXYMETHIONINEA1EK00.75
MHOS-OXYMETHIONINEA1UP20.75
MHOS-OXYMETHIONINEA1XJO0.75
MHOS-OXYMETHIONINEA,E2IUF0.75
MHOS-OXYMETHIONINEA1SF50.75
MHOS-OXYMETHIONINEA1UP00.75
MHOS-OXYMETHIONINEA9PTI0.75
MHOS-OXYMETHIONINEA2IDT0.75
MHOS-OXYMETHIONINEA2QDV0.75
MHOS-OXYMETHIONINEA2QDW0.75
MHOS-OXYMETHIONINEA,B1F4G0.75
MHOS-OXYMETHIONINEA,B2IQF0.75
SLZL-THIALYSINEA,B,D,E,F2O6V0.71
SLZL-THIALYSINEA,B,D2J9K0.71
SLZL-THIALYSINEL1BM20.71
SLZL-THIALYSINEX3DIG0.71
SLZL-THIALYSINEA,B,C2J9J0.71
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.78
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.75
MEDD-METHIONINEA1Y9Q0.79
MEDD-METHIONINEA,B2Q330.79
MEDD-METHIONINEA1ZUE0.79
MEDD-METHIONINEA1KQ00.79
MEDD-METHIONINEA,B3GP40.79
MEDD-METHIONINEA1TKJ0.79
SMEMETHIONINE SULFOXIDEA1GWF0.75
SMEMETHIONINE SULFOXIDEA2JUY0.75
SMEMETHIONINE SULFOXIDEA2O7A0.75
SMEMETHIONINE SULFOXIDEA2ATM0.75
SMEMETHIONINE SULFOXIDEA,B1GM90.75
SMEMETHIONINE SULFOXIDEA1BA60.75
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.75
SMEMETHIONINE SULFOXIDEA,B1GM70.75
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.75
SMEMETHIONINE SULFOXIDEA,B1GKF0.75
SMEMETHIONINE SULFOXIDEA1WMF0.75
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.71
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.71
MMEN-METHYL METHIONINEA,E,S,W1WDD0.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.71
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.71
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
1IR20.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.71
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.71
CMTO-METHYLCYSTEINEG1OMW0.75
CMTO-METHYLCYSTEINEA,G3CIK0.75
CMTO-METHYLCYSTEINEA1DOA0.75
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.74
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.74
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.74
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.75
SMCS-METHYLCYSTEINEA1U8B0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.75
SMCS-METHYLCYSTEINEA1FQ40.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.75
SMCS-METHYLCYSTEINEI1E820.75
SMCS-METHYLCYSTEINEI1E810.75
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.75
SMCS-METHYLCYSTEINEA1LFO0.75
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.75
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.75
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
1IR20.75
SMCS-METHYLCYSTEINEA1ZGW0.75
SMCS-METHYLCYSTEINEE,I1EPN0.75
SMCS-METHYLCYSTEINEA,B,C2OB20.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.75
SMCS-METHYLCYSTEINEP1CZI0.75
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.75
SMCS-METHYLCYSTEINEA,I1GVT0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.75
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.75
SMCS-METHYLCYSTEINEA1EH70.75
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.75
SMCS-METHYLCYSTEINEA1WPK0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.75
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.75
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.71