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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02362307

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSAS-ACETONYLCYSTEINEA,B1DWQ0.74
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.8
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A1T3T0.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1A9X0.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,D,E,H,I,L3D540.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1CS00.72
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.77
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
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.75
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
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.79
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.83
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
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.77
SCYS-ACETYL-CYSTEINEA,B2P8U0.77
SCYS-ACETYL-CYSTEINEA2FA30.77
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.77
SCYS-ACETYL-CYSTEINEA1MJA0.77
SCYS-ACETYL-CYSTEINEA1HNH0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.77
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.77
SCYS-ACETYL-CYSTEINEA2BV50.77
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.77
P1LS-PALMITOYL-L-CYSTEINEA2J3T0.73
P1LS-PALMITOYL-L-CYSTEINED,E2J3W0.73
P1LS-PALMITOYL-L-CYSTEINEA,B,C,D2CFH0.73
P1LS-PALMITOYL-L-CYSTEINEA2C0J0.73
P1LS-PALMITOYL-L-CYSTEINEA,B2J3R0.73
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.74
MEDD-METHIONINEA1Y9Q0.79
MEDD-METHIONINEA,B2Q330.79
MEDD-METHIONINEA1ZUE0.79
MEDD-METHIONINEA1KQ00.79
MEDD-METHIONINEA,B3GP40.79
MEDD-METHIONINEA1TKJ0.79
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.71
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
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
SHCS-HEXYLCYSTEINEI,J1GSS0.81
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
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.74
SLZL-THIALYSINEA,B,D,E,F2O6V0.74
SLZL-THIALYSINEA,B,D2J9K0.74
SLZL-THIALYSINEL1BM20.74
SLZL-THIALYSINEX3DIG0.74
SLZL-THIALYSINEA,B,C2J9J0.74
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.7
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
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.74
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.74
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.74
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R0.73
P2S(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACIDA,B1VA60.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.73
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.71
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.71
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.78
OCYHYDROXYETHYLCYSTEINEA1VSH0.71
OCYHYDROXYETHYLCYSTEINEA3FV80.71
OCYHYDROXYETHYLCYSTEINEA3FI30.71
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.71
OCYHYDROXYETHYLCYSTEINEA1VSI0.71
OCYHYDROXYETHYLCYSTEINEA1VSJ0.71
OCYHYDROXYETHYLCYSTEINEA1VSD0.71
OCYHYDROXYETHYLCYSTEINEA3FI20.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.81