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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02862020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.7
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
DSGD-ASPARAGINEA,B2Q330.87
DSGD-ASPARAGINEA2IH00.87
DSGD-ASPARAGINEA2JUE0.87
DSGD-ASPARAGINEA1A850.87
DSGD-ASPARAGINEA1T5N0.87
DSGD-ASPARAGINEA2IGZ0.87
DSGD-ASPARAGINEA,B,C,D3BOG0.87
DSGD-ASPARAGINEA1T5M0.87
DSGD-ASPARAGINEA,B1HXB0.87
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.74
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.81
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.81
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.81
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.81
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.81
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.73
SCHS-METHYL-THIO-CYSTEINEA1AEX0.74
SCHS-METHYL-THIO-CYSTEINEA,B1K720.74
SCHS-METHYL-THIO-CYSTEINEA1YAL0.74
SCHS-METHYL-THIO-CYSTEINEA1FXD0.74
SCHS-METHYL-THIO-CYSTEINEA1YPV0.74
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.73
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.73
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.74
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.7
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
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.73
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.77
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.77
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.77
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.77
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.77
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.77
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.77
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.77
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.74
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.74
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.74
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.75
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.7
SCYS-ACETYL-CYSTEINEA,B2P8U0.7
SCYS-ACETYL-CYSTEINEA2FA30.7
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.7
SCYS-ACETYL-CYSTEINEA1MJA0.7
SCYS-ACETYL-CYSTEINEA1HNH0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.7
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.7
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.7
SCYS-ACETYL-CYSTEINEA2BV50.7
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.7
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.71
SMCS-METHYLCYSTEINEA1U8B0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.71
SMCS-METHYLCYSTEINEA1FQ40.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.71
SMCS-METHYLCYSTEINEI1E820.71
SMCS-METHYLCYSTEINEI1E810.71
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.71
SMCS-METHYLCYSTEINEA1LFO0.71
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.71
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.71
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
1IR20.71
SMCS-METHYLCYSTEINEA1ZGW0.71
SMCS-METHYLCYSTEINEE,I1EPN0.71
SMCS-METHYLCYSTEINEA,B,C2OB20.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.71
SMCS-METHYLCYSTEINEP1CZI0.71
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.71
SMCS-METHYLCYSTEINEA,I1GVT0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.71
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.71
SMCS-METHYLCYSTEINEA1EH70.71
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.71
SMCS-METHYLCYSTEINEA1WPK0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.71
KORL-HOMOCYSTEINE-S-N-S-L-CYSTEINEA2CI10.74
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
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.75
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.75
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.73
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.73
MEDD-METHIONINEA1Y9Q0.75
MEDD-METHIONINEA,B2Q330.75
MEDD-METHIONINEA1ZUE0.75
MEDD-METHIONINEA1KQ00.75
MEDD-METHIONINEA,B3GP40.75
MEDD-METHIONINEA1TKJ0.75
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.71
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.72
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.76
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.76
SNCS-NITROSO-CYSTEINEA2IIY0.72
SNCS-NITROSO-CYSTEINEA2NRM0.72
SNCS-NITROSO-CYSTEINEA,B,C2HXK0.72
SNCS-NITROSO-CYSTEINEA3EU00.72
SNCS-NITROSO-CYSTEINEA,B,C,D1BUW0.72
SNCS-NITROSO-CYSTEINEA,B,C2IFQ0.72
SNCS-NITROSO-CYSTEINEA2CI10.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.81
MENN-METHYL ASPARAGINEA,B,C,D1XF60.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.81
MENN-METHYL ASPARAGINEA,B1I7Y0.81
MENN-METHYL ASPARAGINEA,B3BRP0.81
MENN-METHYL ASPARAGINEA,B1JBO0.81
MENN-METHYL ASPARAGINEA,B1ALL0.81
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.81
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.81
MENN-METHYL ASPARAGINEA,B1KTP0.81
MENN-METHYL ASPARAGINEA,B1PHN0.81
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.81
MENN-METHYL ASPARAGINEA,B,C,D1XG00.81
MENN-METHYL ASPARAGINEA,B2VJT0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.81
MENN-METHYL ASPARAGINEA,B2V8A0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.81
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.7
SLZL-THIALYSINEA,B,D,E,F2O6V0.7
SLZL-THIALYSINEA,B,D2J9K0.7
SLZL-THIALYSINEL1BM20.7
SLZL-THIALYSINEX3DIG0.7
SLZL-THIALYSINEA,B,C2J9J0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SJZ0.7
CZ2S-(DIHYDROXYARSINO)CYSTEINEA1SK00.7
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.75
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.75
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.75
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.75
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.75
CSRS-ARSONOCYSTEINEA1SK10.7
CSRS-ARSONOCYSTEINEA1JZW0.7
CSRS-ARSONOCYSTEINEA1OKG0.7
CSRS-ARSONOCYSTEINEA1LJU0.7
AHBBETA-HYDROXYASPARAGINEA1DSR0.72
AHBBETA-HYDROXYASPARAGINEA,G1NT00.72
AHBBETA-HYDROXYASPARAGINEA2ZGD0.72
AHBBETA-HYDROXYASPARAGINEA,B2QC90.72
AHBBETA-HYDROXYASPARAGINEA2OG70.72
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71