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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206590

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSAS-ACETONYLCYSTEINEA,B1DWQ0.74
OCYHYDROXYETHYLCYSTEINEA1VSH0.74
OCYHYDROXYETHYLCYSTEINEA3FV80.74
OCYHYDROXYETHYLCYSTEINEA3FI30.74
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.74
OCYHYDROXYETHYLCYSTEINEA1VSI0.74
OCYHYDROXYETHYLCYSTEINEA1VSJ0.74
OCYHYDROXYETHYLCYSTEINEA1VSD0.74
OCYHYDROXYETHYLCYSTEINEA3FI20.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.74
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.74
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.76
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.76
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.76
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.76
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.76
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.76
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.76
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.76
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.76
SLZL-THIALYSINEA,B,D,E,F2O6V0.76
SLZL-THIALYSINEA,B,D2J9K0.76
SLZL-THIALYSINEL1BM20.76
SLZL-THIALYSINEX3DIG0.76
SLZL-THIALYSINEA,B,C2J9J0.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.76
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.76
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.7
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.7
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.74
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.73
SHCS-HEXYLCYSTEINEI,J1GSS0.71
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.73
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.7
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.8
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
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.8
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.8
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.75
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.72
MCSMALONYL CYSTEINEA,B,C,D2JFK0.72
MEDD-METHIONINEA1Y9Q0.72
MEDD-METHIONINEA,B2Q330.72
MEDD-METHIONINEA1ZUE0.72
MEDD-METHIONINEA1KQ00.72
MEDD-METHIONINEA,B3GP40.72
MEDD-METHIONINEA1TKJ0.72
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
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.73