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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02859571

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AP32-(1-CARBOXY-2-HYDROXY-2-METHYL-
PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1BUL0.72
ALP2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-
DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
A1TEM0.71
HOQ(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-
PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID
A,B,C,D1K540.72
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.77
MMEN-METHYL METHIONINEA,E,S,W1WDD0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.77
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.77
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
1IR20.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.77
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.76
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.76
CYKN-hexanoyl-L-homocysteineA3DHC0.75
AYAN-ACETYLALANINEA1D0W0.73
AYAN-ACETYLALANINEA1AH40.73
AYAN-ACETYLALANINEA,B1VBP0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.73
AYAN-ACETYLALANINEA,B,C,D1OUW0.73
AYAN-ACETYLALANINEA1AH30.73
AYAN-ACETYLALANINEA1EKO0.73
AYAN-ACETYLALANINEB,D,F,H2V4I0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.73
AYAN-ACETYLALANINEA,B,C,D1J4U0.73
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.7
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.7
YMA7,10,13-TRI(CARBOXYMETHYL)-5,15-
DIOXO-4,7,10,13,16-PENTAAZA-1,19-
DITHIANONADECANE
A1PY00.7
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.73
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.76
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.7
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.7
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.73
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.71
NCYN-METHYLCYSTEINEA1VS20.71
NCYN-METHYLCYSTEINEA1PFE0.71
NCYN-METHYLCYSTEINEA,B2DA80.71
NCYN-METHYLCYSTEINEC,D193D0.71
NCYN-METHYLCYSTEINEA1XVN0.71
NCYN-METHYLCYSTEINEA,B185D0.71
NCYN-METHYLCYSTEINEA1XVK0.71
NCYN-METHYLCYSTEINEA,C1XVR0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.75
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.75
N2CN,S-DIMETHYLCYSTEINEA1XVK0.77
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.77
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.77
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.84
AMEN-ACETYLMETHIONINEA,B2J4Y0.84
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.78
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.75
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.81
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.75
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.74
CXMN-CARBOXYMETHIONINEA,B1DNA0.82
CXMN-CARBOXYMETHIONINEA,B1JTU0.82
CXMN-CARBOXYMETHIONINEA,B1F4F0.82
CXMN-CARBOXYMETHIONINEA,B3BHL0.82
CXMN-CARBOXYMETHIONINEA,B2G8M0.82
CXMN-CARBOXYMETHIONINEA,C1S3T0.82
CXMN-CARBOXYMETHIONINEA2FTN0.82
CXMN-CARBOXYMETHIONINEA1AJM0.82
CXMN-CARBOXYMETHIONINEA1EV80.82
CXMN-CARBOXYMETHIONINEA,B2G8O0.82
CXMN-CARBOXYMETHIONINEA1EV50.82
CXMN-CARBOXYMETHIONINEA,B1JG00.82
CXMN-CARBOXYMETHIONINEA1FFL0.82
CXMN-CARBOXYMETHIONINEA1BJG0.82
CXMN-CARBOXYMETHIONINEA,B1TLS0.82
CXMN-CARBOXYMETHIONINEA,B1KCE0.82
CXMN-CARBOXYMETHIONINEA,B1NCE0.82
CXMN-CARBOXYMETHIONINEA1TSN0.82
CXMN-CARBOXYMETHIONINEA1F4B0.82
CXMN-CARBOXYMETHIONINEA,B1F4G0.82
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.82
CXMN-CARBOXYMETHIONINEA3B9H0.82
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.82
CXMN-CARBOXYMETHIONINEA3BHR0.82
CXMN-CARBOXYMETHIONINEA,B1KZI0.82
CXMN-CARBOXYMETHIONINEA1EVG0.82
CXMN-CARBOXYMETHIONINEA,B1F4C0.82
CXMN-CARBOXYMETHIONINEA,B1FWM0.82
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.82
CXMN-CARBOXYMETHIONINEA1EVF0.82
CXMN-CARBOXYMETHIONINEA,B1F4D0.82
CXMN-CARBOXYMETHIONINEA,B1JUT0.82
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.82
CXMN-CARBOXYMETHIONINEX2FTO0.82
CXMN-CARBOXYMETHIONINEA,B1AIQ0.82
CXMN-CARBOXYMETHIONINEA1QQQ0.82
CXMN-CARBOXYMETHIONINEA,B1JTQ0.82
CXMN-CARBOXYMETHIONINEA,B1BQ10.82
CXMN-CARBOXYMETHIONINEA,C1UBP0.82
CXMN-CARBOXYMETHIONINEA3BFI0.82
CXMN-CARBOXYMETHIONINEA,B2G8X0.82
CXMN-CARBOXYMETHIONINEA,B2VF00.82
CXMN-CARBOXYMETHIONINEA,B1ZPR0.82
CXMN-CARBOXYMETHIONINEA3BGX0.82
CXMN-CARBOXYMETHIONINEA1TYS0.82
CXMN-CARBOXYMETHIONINEA2FTQ0.82
CXMN-CARBOXYMETHIONINEA1F4E0.82
CXMN-CARBOXYMETHIONINEA,C1IE70.82
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.79
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.79
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.79
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.74
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.82
PRSTHIOPROLINEA1SAV0.72
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.7
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.81
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.71
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.79
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.71
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.71
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.71
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.73
GTXS-HEXYLGLUTATHIONEA,B1AGS0.73
GTXS-HEXYLGLUTATHIONEA,B1PN90.73
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.73
GTXS-HEXYLGLUTATHIONEA,B2IMK0.73
GTXS-HEXYLGLUTATHIONEA,B4GSS0.73
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.73
GTXS-HEXYLGLUTATHIONEA,B2GLR0.73
GTXS-HEXYLGLUTATHIONEA,B2OA70.73
GTXS-HEXYLGLUTATHIONEA,C2AAW0.73
GTXS-HEXYLGLUTATHIONEA,B1VF20.73
GTXS-HEXYLGLUTATHIONEA1M9A0.73
GTXS-HEXYLGLUTATHIONEA,B17GS0.73
GTXS-HEXYLGLUTATHIONEA,B1K0A0.73
GTXS-HEXYLGLUTATHIONEA,B2R3X0.73
GTXS-HEXYLGLUTATHIONEA,B1GSU0.73
GTXS-HEXYLGLUTATHIONEA,B2C800.73
GTXS-HEXYLGLUTATHIONEA,B2R6K0.73
GTXS-HEXYLGLUTATHIONEA,B1PGT0.73
GTXS-HEXYLGLUTATHIONEA,B2J9H0.73
GTXS-HEXYLGLUTATHIONEA,B1K3L0.73
GTXS-HEXYLGLUTATHIONEA,B1GNW0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.73
GTXS-HEXYLGLUTATHIONEA,B1YDK0.73
GTXS-HEXYLGLUTATHIONEA,B9GSS0.73
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.79
FMEN-FORMYLMETHIONINEA1DZA0.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.79
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.79
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.79
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.79
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.79
FMEN-FORMYLMETHIONINEA2W9N0.79
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.79
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.79
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.79
FMEN-FORMYLMETHIONINEA1BQ90.79
FMEN-FORMYLMETHIONINEA2BFR0.79
FMEN-FORMYLMETHIONINEC,D,F1MHC0.79
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.79
FMEN-FORMYLMETHIONINEA,B1QX20.79
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.79
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.79
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.79
FMEN-FORMYLMETHIONINEA2BFQ0.79
FMEN-FORMYLMETHIONINEA2KAM0.79
FMEN-FORMYLMETHIONINEA,B,C1SIW0.79
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.79
FMEN-FORMYLMETHIONINEA1RB90.79
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.79
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.79
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.79
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.79
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.79
FMEN-FORMYLMETHIONINEA,B,C1Q160.79
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.79
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.79
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.79
FMEN-FORMYLMETHIONINEC,H,L,M3D380.79
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.79
FMEN-FORMYLMETHIONINEC,D2FMT0.79
FMEN-FORMYLMETHIONINEA1Q7O0.79
FMEN-FORMYLMETHIONINEA,B3D0Y0.79
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.79
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.79
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.79
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.79
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.79
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.79
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.72
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.72