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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02845230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.7
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.7
CSAS-ACETONYLCYSTEINEA,B1DWQ0.73
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
SHCS-HEXYLCYSTEINEI,J1GSS0.77
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
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.73
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.7
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.81
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.76
SLZL-THIALYSINEA,B,D,E,F2O6V0.76
SLZL-THIALYSINEA,B,D2J9K0.76
SLZL-THIALYSINEL1BM20.76
SLZL-THIALYSINEX3DIG0.76
SLZL-THIALYSINEA,B,C2J9J0.76
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
C2R000.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A,B1NWH0.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A1NX60.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A1PU20.71
HTI(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-
L-HOMOSERINE
A,B1Q2X0.71
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.7
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
MMEN-METHYL METHIONINEA,E,S,W1WDD0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
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
1IR20.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
OCYHYDROXYETHYLCYSTEINEA1VSH0.7
OCYHYDROXYETHYLCYSTEINEA3FV80.7
OCYHYDROXYETHYLCYSTEINEA3FI30.7
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.7
OCYHYDROXYETHYLCYSTEINEA1VSI0.7
OCYHYDROXYETHYLCYSTEINEA1VSJ0.7
OCYHYDROXYETHYLCYSTEINEA1VSD0.7
OCYHYDROXYETHYLCYSTEINEA3FI20.7
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
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.73
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.75
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.75
OMTS-DIOXYMETHIONINEA,B1EA00.71
OMTS-DIOXYMETHIONINEA1E930.71
OMTS-DIOXYMETHIONINEA2CAH0.71
OMTS-DIOXYMETHIONINEA,B,C,D2F1K0.71
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H
2ISA0.71
OMTS-DIOXYMETHIONINEA1MQF0.71
OMTS-DIOXYMETHIONINEA1M850.71
OMTS-DIOXYMETHIONINEA2CAG0.71
OMTS-DIOXYMETHIONINEA1H7K0.71
OMTS-DIOXYMETHIONINEA1NM00.71
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.71
OMTS-DIOXYMETHIONINEA1H6N0.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.71
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.74
SMCS-METHYLCYSTEINEA1U8B0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.74
SMCS-METHYLCYSTEINEA1FQ40.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.74
SMCS-METHYLCYSTEINEI1E820.74
SMCS-METHYLCYSTEINEI1E810.74
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.74
SMCS-METHYLCYSTEINEA1LFO0.74
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.74
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.74
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
1IR20.74
SMCS-METHYLCYSTEINEA1ZGW0.74
SMCS-METHYLCYSTEINEE,I1EPN0.74
SMCS-METHYLCYSTEINEA,B,C2OB20.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.74
SMCS-METHYLCYSTEINEP1CZI0.74
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.74
SMCS-METHYLCYSTEINEA,I1GVT0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.74
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.74
SMCS-METHYLCYSTEINEA1EH70.74
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.74
SMCS-METHYLCYSTEINEA1WPK0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.74
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.78
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.74
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A1T3T0.71
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1A9X0.71
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,D,E,H,I,L3D540.71
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1CS00.71
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.8
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.78
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.78
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.7
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
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.79
N2CN,S-DIMETHYLCYSTEINEA1XVK0.71
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.71
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.71
MEDD-METHIONINEA1Y9Q0.78
MEDD-METHIONINEA,B2Q330.78
MEDD-METHIONINEA1ZUE0.78
MEDD-METHIONINEA1KQ00.78
MEDD-METHIONINEA,B3GP40.78
MEDD-METHIONINEA1TKJ0.78
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.73
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.73
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.73
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.71
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.76
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.76
SCYS-ACETYL-CYSTEINEA,B2P8U0.76
SCYS-ACETYL-CYSTEINEA2FA30.76
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.76
SCYS-ACETYL-CYSTEINEA1MJA0.76
SCYS-ACETYL-CYSTEINEA1HNH0.76
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.76
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.76
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.76
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.76
SCYS-ACETYL-CYSTEINEA2BV50.76
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.76