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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00290780

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRSTHIOPROLINEA1SAV0.76
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.75
SHCS-HEXYLCYSTEINEI,J1GSS0.7
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.74
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.74
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.78
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.73
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.75
P3SL-METHIONINE-S-SULFOXIMINE PHOSPHATEA,B,C,D,E,F,
G,H,I,J
2D3A0.72
P3SL-METHIONINE-S-SULFOXIMINE PHOSPHATEA,B,C,D,E,F,
G,H,I,J
2QC80.72
P3SL-METHIONINE-S-SULFOXIMINE PHOSPHATEA,B,C,D,E,F2BVC0.72
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.83
BG33-METHYL-5-SULFO-PYRROLIDINE-2-
CARBOXYLIC ACID
A1TV40.74
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.75
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.72
SCYS-ACETYL-CYSTEINEA,B2P8U0.72
SCYS-ACETYL-CYSTEINEA2FA30.72
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.72
SCYS-ACETYL-CYSTEINEA1MJA0.72
SCYS-ACETYL-CYSTEINEA1HNH0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.72
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.72
SCYS-ACETYL-CYSTEINEA2BV50.72
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.72
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.84
MMEN-METHYL METHIONINEA,E,S,W1WDD0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.84
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.84
MMEN-METHYL METHIONINE1,2,3,4,5,6,
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
1IR20.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.84
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.72
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.72
SMEMETHIONINE SULFOXIDEA1GWF0.79
SMEMETHIONINE SULFOXIDEA2JUY0.79
SMEMETHIONINE SULFOXIDEA2O7A0.79
SMEMETHIONINE SULFOXIDEA2ATM0.79
SMEMETHIONINE SULFOXIDEA,B1GM90.79
SMEMETHIONINE SULFOXIDEA1BA60.79
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OQE0.79
SMEMETHIONINE SULFOXIDEA,B1GM70.79
SMEMETHIONINE SULFOXIDEA,B,C,D,E,F2OOV0.79
SMEMETHIONINE SULFOXIDEA,B1GKF0.79
SMEMETHIONINE SULFOXIDEA1WMF0.79
HOQ(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-
PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID
A,B,C,D1K540.75
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.77
FMEN-FORMYLMETHIONINEA1DZA0.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.77
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.77
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.77
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.77
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.77
FMEN-FORMYLMETHIONINEA2W9N0.77
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.77
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.77
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.77
FMEN-FORMYLMETHIONINEA1BQ90.77
FMEN-FORMYLMETHIONINEA2BFR0.77
FMEN-FORMYLMETHIONINEC,D,F1MHC0.77
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.77
FMEN-FORMYLMETHIONINEA,B1QX20.77
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.77
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.77
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.77
FMEN-FORMYLMETHIONINEA2BFQ0.77
FMEN-FORMYLMETHIONINEA2KAM0.77
FMEN-FORMYLMETHIONINEA,B,C1SIW0.77
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.77
FMEN-FORMYLMETHIONINEA1RB90.77
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.77
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.77
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.77
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.77
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.77
FMEN-FORMYLMETHIONINEA,B,C1Q160.77
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.77
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.77
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.77
FMEN-FORMYLMETHIONINEC,H,L,M3D380.77
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.77
FMEN-FORMYLMETHIONINEC,D2FMT0.77
FMEN-FORMYLMETHIONINEA1Q7O0.77
FMEN-FORMYLMETHIONINEA,B3D0Y0.77
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.77
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.77
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.77
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.77
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.77
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.77
AP32-(1-CARBOXY-2-HYDROXY-2-METHYL-
PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1BUL0.75
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.72
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.72
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.72
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.71
MHOS-OXYMETHIONINEA,B2A9E0.79
MHOS-OXYMETHIONINEA1ST20.79
MHOS-OXYMETHIONINEA1NLR0.79
MHOS-OXYMETHIONINEA2IDU0.79
MHOS-OXYMETHIONINEA3D940.79
MHOS-OXYMETHIONINEA1EK00.79
MHOS-OXYMETHIONINEA1UP20.79
MHOS-OXYMETHIONINEA1XJO0.79
MHOS-OXYMETHIONINEA,E2IUF0.79
MHOS-OXYMETHIONINEA1SF50.79
MHOS-OXYMETHIONINEA1UP00.79
MHOS-OXYMETHIONINEA9PTI0.79
MHOS-OXYMETHIONINEA2IDT0.79
MHOS-OXYMETHIONINEA2QDV0.79
MHOS-OXYMETHIONINEA2QDW0.79
MHOS-OXYMETHIONINEA,B1F4G0.79
MHOS-OXYMETHIONINEA,B2IQF0.79
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.74
CXMN-CARBOXYMETHIONINEA,B1DNA0.8
CXMN-CARBOXYMETHIONINEA,B1JTU0.8
CXMN-CARBOXYMETHIONINEA,B1F4F0.8
CXMN-CARBOXYMETHIONINEA,B3BHL0.8
CXMN-CARBOXYMETHIONINEA,B2G8M0.8
CXMN-CARBOXYMETHIONINEA,C1S3T0.8
CXMN-CARBOXYMETHIONINEA2FTN0.8
CXMN-CARBOXYMETHIONINEA1AJM0.8
CXMN-CARBOXYMETHIONINEA1EV80.8
CXMN-CARBOXYMETHIONINEA,B2G8O0.8
CXMN-CARBOXYMETHIONINEA1EV50.8
CXMN-CARBOXYMETHIONINEA,B1JG00.8
CXMN-CARBOXYMETHIONINEA1FFL0.8
CXMN-CARBOXYMETHIONINEA1BJG0.8
CXMN-CARBOXYMETHIONINEA,B1TLS0.8
CXMN-CARBOXYMETHIONINEA,B1KCE0.8
CXMN-CARBOXYMETHIONINEA,B1NCE0.8
CXMN-CARBOXYMETHIONINEA1TSN0.8
CXMN-CARBOXYMETHIONINEA1F4B0.8
CXMN-CARBOXYMETHIONINEA,B1F4G0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.8
CXMN-CARBOXYMETHIONINEA3B9H0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.8
CXMN-CARBOXYMETHIONINEA3BHR0.8
CXMN-CARBOXYMETHIONINEA,B1KZI0.8
CXMN-CARBOXYMETHIONINEA1EVG0.8
CXMN-CARBOXYMETHIONINEA,B1F4C0.8
CXMN-CARBOXYMETHIONINEA,B1FWM0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.8
CXMN-CARBOXYMETHIONINEA1EVF0.8
CXMN-CARBOXYMETHIONINEA,B1F4D0.8
CXMN-CARBOXYMETHIONINEA,B1JUT0.8
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.8
CXMN-CARBOXYMETHIONINEX2FTO0.8
CXMN-CARBOXYMETHIONINEA,B1AIQ0.8
CXMN-CARBOXYMETHIONINEA1QQQ0.8
CXMN-CARBOXYMETHIONINEA,B1JTQ0.8
CXMN-CARBOXYMETHIONINEA,B1BQ10.8
CXMN-CARBOXYMETHIONINEA,C1UBP0.8
CXMN-CARBOXYMETHIONINEA3BFI0.8
CXMN-CARBOXYMETHIONINEA,B2G8X0.8
CXMN-CARBOXYMETHIONINEA,B2VF00.8
CXMN-CARBOXYMETHIONINEA,B1ZPR0.8
CXMN-CARBOXYMETHIONINEA3BGX0.8
CXMN-CARBOXYMETHIONINEA1TYS0.8
CXMN-CARBOXYMETHIONINEA2FTQ0.8
CXMN-CARBOXYMETHIONINEA1F4E0.8
CXMN-CARBOXYMETHIONINEA,C1IE70.8
MEDD-METHIONINEA1Y9Q0.74
MEDD-METHIONINEA,B2Q330.74
MEDD-METHIONINEA1ZUE0.74
MEDD-METHIONINEA1KQ00.74
MEDD-METHIONINEA,B3GP40.74
MEDD-METHIONINEA1TKJ0.74
SDCS-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINEA,B,C1R1O0.75
ALP2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-
DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
A1TEM0.77
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.73
NCYN-METHYLCYSTEINEA1VS20.73
NCYN-METHYLCYSTEINEA1PFE0.73
NCYN-METHYLCYSTEINEA,B2DA80.73
NCYN-METHYLCYSTEINEC,D193D0.73
NCYN-METHYLCYSTEINEA1XVN0.73
NCYN-METHYLCYSTEINEA,B185D0.73
NCYN-METHYLCYSTEINEA1XVK0.73
NCYN-METHYLCYSTEINEA,C1XVR0.73
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.8
AMEN-ACETYLMETHIONINEA,B2J4Y0.8
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.74
N2CN,S-DIMETHYLCYSTEINEA1XVK0.79
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.79
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.72
OMTS-DIOXYMETHIONINEA,B1EA00.82
OMTS-DIOXYMETHIONINEA1E930.82
OMTS-DIOXYMETHIONINEA2CAH0.82
OMTS-DIOXYMETHIONINEA,B,C,D2F1K0.82
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H
2ISA0.82
OMTS-DIOXYMETHIONINEA1MQF0.82
OMTS-DIOXYMETHIONINEA1M850.82
OMTS-DIOXYMETHIONINEA2CAG0.82
OMTS-DIOXYMETHIONINEA1H7K0.82
OMTS-DIOXYMETHIONINEA1NM00.82
OMTS-DIOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.82
OMTS-DIOXYMETHIONINEA1H6N0.82
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.7
SMCS-METHYLCYSTEINEA1U8B0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.7
SMCS-METHYLCYSTEINEA1FQ40.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.7
SMCS-METHYLCYSTEINEI1E820.7
SMCS-METHYLCYSTEINEI1E810.7
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.7
SMCS-METHYLCYSTEINEA1LFO0.7
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.7
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.7
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
1IR20.7
SMCS-METHYLCYSTEINEA1ZGW0.7
SMCS-METHYLCYSTEINEE,I1EPN0.7
SMCS-METHYLCYSTEINEA,B,C2OB20.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.7
SMCS-METHYLCYSTEINEP1CZI0.7
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.7
SMCS-METHYLCYSTEINEA,I1GVT0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.7
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.7
SMCS-METHYLCYSTEINEA1EH70.7
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.7
SMCS-METHYLCYSTEINEA1WPK0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.7
KORL-HOMOCYSTEINE-S-N-S-L-CYSTEINEA2CI10.7
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B2J8R0.77
MSL(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3B0.77
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.72