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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381315

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.78
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.78
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.78
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.78
GTSGLUTATHIONE SULFONIC ACIDA1M990.78
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.78
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.78
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.78
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.77
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.77
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.87
GTXS-HEXYLGLUTATHIONEA,B1AGS0.87
GTXS-HEXYLGLUTATHIONEA,B1PN90.87
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.87
GTXS-HEXYLGLUTATHIONEA,B2IMK0.87
GTXS-HEXYLGLUTATHIONEA,B4GSS0.87
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.87
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.87
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.87
GTXS-HEXYLGLUTATHIONEA,B2GLR0.87
GTXS-HEXYLGLUTATHIONEA,B2OA70.87
GTXS-HEXYLGLUTATHIONEA,C2AAW0.87
GTXS-HEXYLGLUTATHIONEA,B1VF20.87
GTXS-HEXYLGLUTATHIONEA1M9A0.87
GTXS-HEXYLGLUTATHIONEA,B17GS0.87
GTXS-HEXYLGLUTATHIONEA,B1K0A0.87
GTXS-HEXYLGLUTATHIONEA,B2R3X0.87
GTXS-HEXYLGLUTATHIONEA,B1GSU0.87
GTXS-HEXYLGLUTATHIONEA,B2C800.87
GTXS-HEXYLGLUTATHIONEA,B2R6K0.87
GTXS-HEXYLGLUTATHIONEA,B1PGT0.87
GTXS-HEXYLGLUTATHIONEA,B2J9H0.87
GTXS-HEXYLGLUTATHIONEA,B1K3L0.87
GTXS-HEXYLGLUTATHIONEA,B1GNW0.87
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.87
GTXS-HEXYLGLUTATHIONEA,B1YDK0.87
GTXS-HEXYLGLUTATHIONEA,B9GSS0.87
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.84
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.82
GSHGLUTATHIONEA1EEM0.82
GSHGLUTATHIONEA,B1USB0.82
GSHGLUTATHIONEA3FZA0.82
GSHGLUTATHIONEA2IMF0.82
GSHGLUTATHIONEA,B1PX60.82
GSHGLUTATHIONEA,B1MD40.82
GSHGLUTATHIONEA2CZ20.82
GSHGLUTATHIONEA3FZ90.82
GSHGLUTATHIONEA,B,C,D1R4W0.82
GSHGLUTATHIONEA1ZHP0.82
GSHGLUTATHIONEA,B3E730.82
GSHGLUTATHIONEA1VF10.82
GSHGLUTATHIONEA3CRT0.82
GSHGLUTATHIONEA,B,C,D2VCX0.82
GSHGLUTATHIONEA,B,C,D1XW60.82
GSHGLUTATHIONEA3CRU0.82
GSHGLUTATHIONEA,B1B480.82
GSHGLUTATHIONEA2ZK20.82
GSHGLUTATHIONEA,B,C,D1IYH0.82
GSHGLUTATHIONEA,B,C,D1Q8M0.82
GSHGLUTATHIONEA,B,C,D2PBJ0.82
GSHGLUTATHIONEA,B,C,D2VCQ0.82
GSHGLUTATHIONEA1GRA0.82
GSHGLUTATHIONEA,B1QGJ0.82
GSHGLUTATHIONEA2HGS0.82
GSHGLUTATHIONEA,B,C,D2VD10.82
GSHGLUTATHIONEA1ZHM0.82
GSHGLUTATHIONEA,B,C,D2VCZ0.82
GSHGLUTATHIONEC1KCG0.82
GSHGLUTATHIONEA,B1MD30.82
GSHGLUTATHIONEA,B2IO90.82
GSHGLUTATHIONEA,B2JL40.82
GSHGLUTATHIONEA3DK80.82
GSHGLUTATHIONEA3DK40.82
GSHGLUTATHIONEA,B,D2VCW0.82
GSHGLUTATHIONEA,B1XW50.82
GSHGLUTATHIONEA,B3FHS0.82
GSHGLUTATHIONEA,B1Y1A0.82
GSHGLUTATHIONEA1GRE0.82
GSHGLUTATHIONEA,B2HT90.82
GSHGLUTATHIONEA,B1DUG0.82
GSHGLUTATHIONEA,B,C,D2VD00.82
GSHGLUTATHIONEA,B1TYP0.82
GSHGLUTATHIONEA2FLS0.82
GSHGLUTATHIONEA,B1OE80.82
GSHGLUTATHIONEA,B1PX70.82
GSHGLUTATHIONEA3C1S0.82
GSHGLUTATHIONEA,B1F3A0.82
GSHGLUTATHIONEA1FW10.82
GSHGLUTATHIONEA,B2IMI0.82
GSHGLUTATHIONEA,B1LBK0.82
GSHGLUTATHIONEA,B2HQM0.82
GSHGLUTATHIONEA,B1TDI0.82
GSHGLUTATHIONEA,B,C,D1V400.82
GSHGLUTATHIONEA,B,C,D1IYI0.82
GSHGLUTATHIONEA3D0Z0.82
GSHGLUTATHIONEA,B1ZGN0.82
GSHGLUTATHIONEA,B,C,D2CVD0.82
GSHGLUTATHIONEA,B3C8E0.82
GSHGLUTATHIONEA,B,C1YJ60.82
GSHGLUTATHIONEA2IMD0.82
GSHGLUTATHIONEA2IME0.82
GSHGLUTATHIONEA3BHJ0.82
GSHGLUTATHIONEA,B1OE70.82
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.76
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.78
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.78
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.71
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.82
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.82
GTTGLUTATHIONEA,B11GS0.82
GTTGLUTATHIONEA1GSN0.82
GTTGLUTATHIONEA,C1K0B0.82
GTTGLUTATHIONEA,B,C1K0D0.82
GTTGLUTATHIONEA,B6GSY0.82
GTTGLUTATHIONEA,B19GS0.82
GTTGLUTATHIONEA1FLJ0.82
GTTGLUTATHIONEA,B3DD30.82
GTTGLUTATHIONEA2PVQ0.82
GTTGLUTATHIONEA1DNC0.82
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.82
GTTGLUTATHIONEA,B,C,D3CSI0.82
GTTGLUTATHIONEA,B6GSS0.82
GTTGLUTATHIONEA2R4V0.82
GTTGLUTATHIONEA,B,C,D3FZ50.82
GTTGLUTATHIONEA,B3GSS0.82
GTTGLUTATHIONEA,B2F8F0.82
GTTGLUTATHIONEA,B1GSY0.82
GTTGLUTATHIONEA1PMT0.82
GTTGLUTATHIONEA,B1GSE0.82
GTTGLUTATHIONEA,B,C,D1F2E0.82
GTTGLUTATHIONEA1UW30.82
GTTGLUTATHIONEA,B1SS40.82
GTTGLUTATHIONEA,B5GSS0.82
GTTGLUTATHIONEA1GRX0.82
GTTGLUTATHIONEA,B7GSS0.82
GTTGLUTATHIONEA1UA50.82
GTTGLUTATHIONEA,B,C8GSS0.82
GTTGLUTATHIONEA,B1LJR0.82
GTTGLUTATHIONEA,B,C,D1OYJ0.82
GTTGLUTATHIONEA,B,C,D2E7P0.82
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.82
GTTGLUTATHIONEA,B,C,D2WEM0.82
GTTGLUTATHIONEA,B1K0A0.82
GTTGLUTATHIONEA,B3EE20.82
GTTGLUTATHIONEA3G5S0.82
GTTGLUTATHIONEA1HNL0.82
GTTGLUTATHIONEA,B,C,D1K0C0.82
GTTGLUTATHIONEA,B6GST0.82
GTTGLUTATHIONEA,B1TU70.82
GTTGLUTATHIONEA2H8A0.82
GTTGLUTATHIONEA,B,C,D2PMT0.82
GTTGLUTATHIONEA2UUH0.82
GTTGLUTATHIONEA,B1ZL90.82
GTTGLUTATHIONEA,B1QH50.82
GTTGLUTATHIONE1,21PD20.82
GTTGLUTATHIONEA,B3CSH0.82
GTTGLUTATHIONEA,C1JZR0.82
GTTGLUTATHIONEA2NTO0.82
GTTGLUTATHIONEA,B1KBN0.82
GTTGLUTATHIONEA3GRX0.82
GTTGLUTATHIONEA1B4Q0.82
GTTGLUTATHIONEA,B1PKW0.82
GTTGLUTATHIONEA1K0N0.82
GTTGLUTATHIONEA,B,C,D2DSA0.82
GTTGLUTATHIONEA,B2HNL0.82
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.82
GTTGLUTATHIONEA1GSA0.82
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.89
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.89
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.79
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.88
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.76
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.76
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.8
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.8
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.8
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.72