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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03660470

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SHCS-HEXYLCYSTEINEI,J1GSS0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.75
SCYS-ACETYL-CYSTEINEA,B2P8U0.75
SCYS-ACETYL-CYSTEINEA2FA30.75
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.75
SCYS-ACETYL-CYSTEINEA1MJA0.75
SCYS-ACETYL-CYSTEINEA1HNH0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.75
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.75
SCYS-ACETYL-CYSTEINEA2BV50.75
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.75
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.73
CSAS-ACETONYLCYSTEINEA,B1DWQ0.72
N2CN,S-DIMETHYLCYSTEINEA1XVK0.7
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.7
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.7
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.72
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.71
MEDD-METHIONINEA1Y9Q0.71
MEDD-METHIONINEA,B2Q330.71
MEDD-METHIONINEA1ZUE0.71
MEDD-METHIONINEA1KQ00.71
MEDD-METHIONINEA,B3GP40.71
MEDD-METHIONINEA1TKJ0.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.72
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
C2JQ70.81
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
A1E9W0.81
TZB(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-
4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
B1OLN0.81
SLZL-THIALYSINEA,B,D,E,F2O6V0.75
SLZL-THIALYSINEA,B,D2J9K0.75
SLZL-THIALYSINEL1BM20.75
SLZL-THIALYSINEX3DIG0.75
SLZL-THIALYSINEA,B,C2J9J0.75
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.72
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.72
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.72
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
SMCS-METHYLCYSTEINEA1U8B0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
SMCS-METHYLCYSTEINEA1FQ40.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
SMCS-METHYLCYSTEINEI1E820.73
SMCS-METHYLCYSTEINEI1E810.73
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.73
SMCS-METHYLCYSTEINEA1LFO0.73
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.73
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.73
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
1IR20.73
SMCS-METHYLCYSTEINEA1ZGW0.73
SMCS-METHYLCYSTEINEE,I1EPN0.73
SMCS-METHYLCYSTEINEA,B,C2OB20.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
SMCS-METHYLCYSTEINEP1CZI0.73
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.73
SMCS-METHYLCYSTEINEA,I1GVT0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.73
SMCS-METHYLCYSTEINEA1EH70.73
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
SMCS-METHYLCYSTEINEA1WPK0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.73
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.75