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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03686165

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.8
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.8
SCHS-METHYL-THIO-CYSTEINEA1AEX0.73
SCHS-METHYL-THIO-CYSTEINEA,B1K720.73
SCHS-METHYL-THIO-CYSTEINEA1YAL0.73
SCHS-METHYL-THIO-CYSTEINEA1FXD0.73
SCHS-METHYL-THIO-CYSTEINEA1YPV0.73
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.73
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFU0.71
CSZS-SELANYL CYSTEINEA1KMK0.71
CSZS-SELANYL CYSTEINEA,B,C,D,E,F1FFV0.71
SLZL-THIALYSINEA,B,D,E,F2O6V0.8
SLZL-THIALYSINEA,B,D2J9K0.8
SLZL-THIALYSINEL1BM20.8
SLZL-THIALYSINEX3DIG0.8
SLZL-THIALYSINEA,B,C2J9J0.8
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.78
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.78
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.76
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.71
CSBCYS BOUND TO LEAD IONA1B6G0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.74
SHCS-HEXYLCYSTEINEI,J1GSS0.73
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.8
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.8
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.8
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.8
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.8
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.73
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.73
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.73
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.7
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.76
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.78
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R1
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.74
MEDD-METHIONINEA1Y9Q0.74
MEDD-METHIONINEA,B2Q330.74
MEDD-METHIONINEA1ZUE0.74
MEDD-METHIONINEA1KQ00.74
MEDD-METHIONINEA,B3GP40.74
MEDD-METHIONINEA1TKJ0.74
MCSMALONYL CYSTEINEA,B,C,D2JFK0.74
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.71
MSA(2-S-METHYL) SARCOSINEC1CWK0.75
MSA(2-S-METHYL) SARCOSINEC1CWJ0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.74
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.8
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.8
SCYS-ACETYL-CYSTEINEA,B2P8U0.8
SCYS-ACETYL-CYSTEINEA2FA30.8
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.8
SCYS-ACETYL-CYSTEINEA1MJA0.8
SCYS-ACETYL-CYSTEINEA1HNH0.8
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.8
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.8
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.8
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.8
SCYS-ACETYL-CYSTEINEA2BV50.8
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.8
BCXBETA-3-CYSTEINEA1J8Z0.74
CZZTHIARSAHYDROXY-CYSTEINEA1J9B0.71
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.77
SMCS-METHYLCYSTEINEA1U8B0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.77
SMCS-METHYLCYSTEINEA1FQ40.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.77
SMCS-METHYLCYSTEINEI1E820.77
SMCS-METHYLCYSTEINEI1E810.77
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.77
SMCS-METHYLCYSTEINEA1LFO0.77
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.77
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.77
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
1IR20.77
SMCS-METHYLCYSTEINEA1ZGW0.77
SMCS-METHYLCYSTEINEE,I1EPN0.77
SMCS-METHYLCYSTEINEA,B,C2OB20.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.77
SMCS-METHYLCYSTEINEP1CZI0.77
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.77
SMCS-METHYLCYSTEINEA,I1GVT0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.77
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.77
SMCS-METHYLCYSTEINEA1EH70.77
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.77
SMCS-METHYLCYSTEINEA1WPK0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.77
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.77
CSRS-ARSONOCYSTEINEA1SK10.72
CSRS-ARSONOCYSTEINEA1JZW0.72
CSRS-ARSONOCYSTEINEA1OKG0.72
CSRS-ARSONOCYSTEINEA1LJU0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.74
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.74
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.74
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.74
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.74
GSC2-ETHYLTHIO GLYCINEA1FQ60.87
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.72
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.72
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.76
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.71
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.7
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.76
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.76
OCYHYDROXYETHYLCYSTEINEA1VSH0.76
OCYHYDROXYETHYLCYSTEINEA3FV80.76
OCYHYDROXYETHYLCYSTEINEA3FI30.76
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.76
OCYHYDROXYETHYLCYSTEINEA1VSI0.76
OCYHYDROXYETHYLCYSTEINEA1VSJ0.76
OCYHYDROXYETHYLCYSTEINEA1VSD0.76
OCYHYDROXYETHYLCYSTEINEA3FI20.76
CSAS-ACETONYLCYSTEINEA,B1DWQ0.76