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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03481359

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MHOS-OXYMETHIONINEA,B2A9E0.7
MHOS-OXYMETHIONINEA1ST20.7
MHOS-OXYMETHIONINEA1NLR0.7
MHOS-OXYMETHIONINEA2IDU0.7
MHOS-OXYMETHIONINEA3D940.7
MHOS-OXYMETHIONINEA1EK00.7
MHOS-OXYMETHIONINEA1UP20.7
MHOS-OXYMETHIONINEA1XJO0.7
MHOS-OXYMETHIONINEA,E2IUF0.7
MHOS-OXYMETHIONINEA1SF50.7
MHOS-OXYMETHIONINEA1UP00.7
MHOS-OXYMETHIONINEA9PTI0.7
MHOS-OXYMETHIONINEA2IDT0.7
MHOS-OXYMETHIONINEA2QDV0.7
MHOS-OXYMETHIONINEA2QDW0.7
MHOS-OXYMETHIONINEA,B1F4G0.7
MHOS-OXYMETHIONINEA,B2IQF0.7
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.71
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.71
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.71
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
CMTO-METHYLCYSTEINEG1OMW0.8
CMTO-METHYLCYSTEINEA,G3CIK0.8
CMTO-METHYLCYSTEINEA1DOA0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.71
N2CN,S-DIMETHYLCYSTEINEA1XVK0.7
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.7
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.7
MCSMALONYL CYSTEINEA,B,C,D2JFK0.71
SHCS-HEXYLCYSTEINEI,J1GSS0.73
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.71
SLZL-THIALYSINEA,B,D,E,F2O6V0.75
SLZL-THIALYSINEA,B,D2J9K0.75
SLZL-THIALYSINEL1BM20.75
SLZL-THIALYSINEX3DIG0.75
SLZL-THIALYSINEA,B,C2J9J0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.72
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.76
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.75
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.71
MEDD-METHIONINEA1Y9Q0.74
MEDD-METHIONINEA,B2Q330.74
MEDD-METHIONINEA1ZUE0.74
MEDD-METHIONINEA1KQ00.74
MEDD-METHIONINEA,B3GP40.74
MEDD-METHIONINEA1TKJ0.74
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.77
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.71
SMEMETHIONINE SULFOXIDEA1GWF0.7
SMEMETHIONINE SULFOXIDEA2JUY0.7
SMEMETHIONINE SULFOXIDEA2O7A0.7
SMEMETHIONINE SULFOXIDEA2ATM0.7
SMEMETHIONINE SULFOXIDEA,B1GM90.7
SMEMETHIONINE SULFOXIDEA1BA60.7
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.7
SMEMETHIONINE SULFOXIDEA,B1GM70.7
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.7
SMEMETHIONINE SULFOXIDEA,B1GKF0.7
SMEMETHIONINE SULFOXIDEA1WMF0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.79
SCYS-ACETYL-CYSTEINEA,B2P8U0.79
SCYS-ACETYL-CYSTEINEA2FA30.79
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.79
SCYS-ACETYL-CYSTEINEA1MJA0.79
SCYS-ACETYL-CYSTEINEA1HNH0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.79
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.79
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.79
SCYS-ACETYL-CYSTEINEA2BV50.79
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.79
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.72
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
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.76
OCYHYDROXYETHYLCYSTEINEA1VSH0.76
OCYHYDROXYETHYLCYSTEINEA3FV80.76
OCYHYDROXYETHYLCYSTEINEA3FI30.76
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.76
OCYHYDROXYETHYLCYSTEINEA1VSI0.76
OCYHYDROXYETHYLCYSTEINEA1VSJ0.76
OCYHYDROXYETHYLCYSTEINEA1VSD0.76
OCYHYDROXYETHYLCYSTEINEA3FI20.76
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.75
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.75
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.75
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.75
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.75
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.75
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.75
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.75
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.75
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.75
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.71
CSAS-ACETONYLCYSTEINEA,B1DWQ0.76