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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03200964

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
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.72
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.74
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A1C4W0.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID70.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2ID90.7
CYQ2-AMINO-3-PHOSPHONOMETHYLSULFANYL-
PROPIONIC ACID
A2IDM0.7
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
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.76
SMEMETHIONINE SULFOXIDEA1GWF0.71
SMEMETHIONINE SULFOXIDEA2JUY0.71
SMEMETHIONINE SULFOXIDEA2O7A0.71
SMEMETHIONINE SULFOXIDEA2ATM0.71
SMEMETHIONINE SULFOXIDEA,B1GM90.71
SMEMETHIONINE SULFOXIDEA1BA60.71
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.71
SMEMETHIONINE SULFOXIDEA,B1GM70.71
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.71
SMEMETHIONINE SULFOXIDEA,B1GKF0.71
SMEMETHIONINE SULFOXIDEA1WMF0.71
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
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.76
MHOS-OXYMETHIONINEA,B2A9E0.71
MHOS-OXYMETHIONINEA1ST20.71
MHOS-OXYMETHIONINEA1NLR0.71
MHOS-OXYMETHIONINEA2IDU0.71
MHOS-OXYMETHIONINEA3D940.71
MHOS-OXYMETHIONINEA1EK00.71
MHOS-OXYMETHIONINEA1UP20.71
MHOS-OXYMETHIONINEA1XJO0.71
MHOS-OXYMETHIONINEA,E2IUF0.71
MHOS-OXYMETHIONINEA1SF50.71
MHOS-OXYMETHIONINEA1UP00.71
MHOS-OXYMETHIONINEA9PTI0.71
MHOS-OXYMETHIONINEA2IDT0.71
MHOS-OXYMETHIONINEA2QDV0.71
MHOS-OXYMETHIONINEA2QDW0.71
MHOS-OXYMETHIONINEA,B1F4G0.71
MHOS-OXYMETHIONINEA,B2IQF0.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1C220.71
MF32-AMINO-4-TRIFLUOROMETHYLSULFANYL-
BUTYRIC ACID
A1PFW0.71
SHCS-HEXYLCYSTEINEI,J1GSS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.72
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.72
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.72
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.72
MEDD-METHIONINEA1Y9Q0.75
MEDD-METHIONINEA,B2Q330.75
MEDD-METHIONINEA1ZUE0.75
MEDD-METHIONINEA1KQ00.75
MEDD-METHIONINEA,B3GP40.75
MEDD-METHIONINEA1TKJ0.75
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.71
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.71
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.7
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.7
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.7
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.71
N2CN,S-DIMETHYLCYSTEINEA1XVK0.71
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.71
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.71
SCHS-METHYL-THIO-CYSTEINEA1AEX0.71
SCHS-METHYL-THIO-CYSTEINEA,B1K720.71
SCHS-METHYL-THIO-CYSTEINEA1YAL0.71
SCHS-METHYL-THIO-CYSTEINEA1FXD0.71
SCHS-METHYL-THIO-CYSTEINEA1YPV0.71
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.7
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.75
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.72
MCSMALONYL CYSTEINEA,B,C,D2JFK0.72
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
CSRS-ARSONOCYSTEINEA1SK10.7
CSRS-ARSONOCYSTEINEA1JZW0.7
CSRS-ARSONOCYSTEINEA1OKG0.7
CSRS-ARSONOCYSTEINEA1LJU0.7
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.78
SMCS-METHYLCYSTEINEA1U8B0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.78
SMCS-METHYLCYSTEINEA1FQ40.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.78
SMCS-METHYLCYSTEINEI1E820.78
SMCS-METHYLCYSTEINEI1E810.78
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.78
SMCS-METHYLCYSTEINEA1LFO0.78
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.78
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.78
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
1IR20.78
SMCS-METHYLCYSTEINEA1ZGW0.78
SMCS-METHYLCYSTEINEE,I1EPN0.78
SMCS-METHYLCYSTEINEA,B,C2OB20.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.78
SMCS-METHYLCYSTEINEP1CZI0.78
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.78
SMCS-METHYLCYSTEINEA,I1GVT0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.78
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.78
SMCS-METHYLCYSTEINEA1EH70.78
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.78
SMCS-METHYLCYSTEINEA1WPK0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.78
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.78
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.72
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.72