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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381314

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.9
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.9
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.89
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.88
GTXS-HEXYLGLUTATHIONEA,B1AGS0.88
GTXS-HEXYLGLUTATHIONEA,B1PN90.88
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.88
GTXS-HEXYLGLUTATHIONEA,B2IMK0.88
GTXS-HEXYLGLUTATHIONEA,B4GSS0.88
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.88
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.88
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.88
GTXS-HEXYLGLUTATHIONEA,B2GLR0.88
GTXS-HEXYLGLUTATHIONEA,B2OA70.88
GTXS-HEXYLGLUTATHIONEA,C2AAW0.88
GTXS-HEXYLGLUTATHIONEA,B1VF20.88
GTXS-HEXYLGLUTATHIONEA1M9A0.88
GTXS-HEXYLGLUTATHIONEA,B17GS0.88
GTXS-HEXYLGLUTATHIONEA,B1K0A0.88
GTXS-HEXYLGLUTATHIONEA,B2R3X0.88
GTXS-HEXYLGLUTATHIONEA,B1GSU0.88
GTXS-HEXYLGLUTATHIONEA,B2C800.88
GTXS-HEXYLGLUTATHIONEA,B2R6K0.88
GTXS-HEXYLGLUTATHIONEA,B1PGT0.88
GTXS-HEXYLGLUTATHIONEA,B2J9H0.88
GTXS-HEXYLGLUTATHIONEA,B1K3L0.88
GTXS-HEXYLGLUTATHIONEA,B1GNW0.88
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.88
GTXS-HEXYLGLUTATHIONEA,B1YDK0.88
GTXS-HEXYLGLUTATHIONEA,B9GSS0.88
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.87
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.87
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.85
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.83
GSHGLUTATHIONEA1EEM0.83
GSHGLUTATHIONEA,B1USB0.83
GSHGLUTATHIONEA3FZA0.83
GSHGLUTATHIONEA2IMF0.83
GSHGLUTATHIONEA,B1PX60.83
GSHGLUTATHIONEA,B1MD40.83
GSHGLUTATHIONEA2CZ20.83
GSHGLUTATHIONEA3FZ90.83
GSHGLUTATHIONEA,B,C,D1R4W0.83
GSHGLUTATHIONEA1ZHP0.83
GSHGLUTATHIONEA,B3E730.83
GSHGLUTATHIONEA1VF10.83
GSHGLUTATHIONEA3CRT0.83
GSHGLUTATHIONEA,B,C,D2VCX0.83
GSHGLUTATHIONEA,B,C,D1XW60.83
GSHGLUTATHIONEA3CRU0.83
GSHGLUTATHIONEA,B1B480.83
GSHGLUTATHIONEA2ZK20.83
GSHGLUTATHIONEA,B,C,D1IYH0.83
GSHGLUTATHIONEA,B,C,D1Q8M0.83
GSHGLUTATHIONEA,B,C,D2PBJ0.83
GSHGLUTATHIONEA,B,C,D2VCQ0.83
GSHGLUTATHIONEA1GRA0.83
GSHGLUTATHIONEA,B1QGJ0.83
GSHGLUTATHIONEA2HGS0.83
GSHGLUTATHIONEA,B,C,D2VD10.83
GSHGLUTATHIONEA1ZHM0.83
GSHGLUTATHIONEA,B,C,D2VCZ0.83
GSHGLUTATHIONEC1KCG0.83
GSHGLUTATHIONEA,B1MD30.83
GSHGLUTATHIONEA,B2IO90.83
GSHGLUTATHIONEA,B2JL40.83
GSHGLUTATHIONEA3DK80.83
GSHGLUTATHIONEA3DK40.83
GSHGLUTATHIONEA,B,D2VCW0.83
GSHGLUTATHIONEA,B1XW50.83
GSHGLUTATHIONEA,B3FHS0.83
GSHGLUTATHIONEA,B1Y1A0.83
GSHGLUTATHIONEA1GRE0.83
GSHGLUTATHIONEA,B2HT90.83
GSHGLUTATHIONEA,B1DUG0.83
GSHGLUTATHIONEA,B,C,D2VD00.83
GSHGLUTATHIONEA,B1TYP0.83
GSHGLUTATHIONEA2FLS0.83
GSHGLUTATHIONEA,B1OE80.83
GSHGLUTATHIONEA,B1PX70.83
GSHGLUTATHIONEA3C1S0.83
GSHGLUTATHIONEA,B1F3A0.83
GSHGLUTATHIONEA1FW10.83
GSHGLUTATHIONEA,B2IMI0.83
GSHGLUTATHIONEA,B1LBK0.83
GSHGLUTATHIONEA,B2HQM0.83
GSHGLUTATHIONEA,B1TDI0.83
GSHGLUTATHIONEA,B,C,D1V400.83
GSHGLUTATHIONEA,B,C,D1IYI0.83
GSHGLUTATHIONEA3D0Z0.83
GSHGLUTATHIONEA,B1ZGN0.83
GSHGLUTATHIONEA,B,C,D2CVD0.83
GSHGLUTATHIONEA,B3C8E0.83
GSHGLUTATHIONEA,B,C1YJ60.83
GSHGLUTATHIONEA2IMD0.83
GSHGLUTATHIONEA2IME0.83
GSHGLUTATHIONEA3BHJ0.83
GSHGLUTATHIONEA,B1OE70.83
GTTGLUTATHIONEA,B11GS0.83
GTTGLUTATHIONEA1GSN0.83
GTTGLUTATHIONEA,C1K0B0.83
GTTGLUTATHIONEA,B,C1K0D0.83
GTTGLUTATHIONEA,B6GSY0.83
GTTGLUTATHIONEA,B19GS0.83
GTTGLUTATHIONEA1FLJ0.83
GTTGLUTATHIONEA,B3DD30.83
GTTGLUTATHIONEA2PVQ0.83
GTTGLUTATHIONEA1DNC0.83
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.83
GTTGLUTATHIONEA,B,C,D3CSI0.83
GTTGLUTATHIONEA,B6GSS0.83
GTTGLUTATHIONEA2R4V0.83
GTTGLUTATHIONEA,B,C,D3FZ50.83
GTTGLUTATHIONEA,B3GSS0.83
GTTGLUTATHIONEA,B2F8F0.83
GTTGLUTATHIONEA,B1GSY0.83
GTTGLUTATHIONEA1PMT0.83
GTTGLUTATHIONEA,B1GSE0.83
GTTGLUTATHIONEA,B,C,D1F2E0.83
GTTGLUTATHIONEA1UW30.83
GTTGLUTATHIONEA,B1SS40.83
GTTGLUTATHIONEA,B5GSS0.83
GTTGLUTATHIONEA1GRX0.83
GTTGLUTATHIONEA,B7GSS0.83
GTTGLUTATHIONEA1UA50.83
GTTGLUTATHIONEA,B,C8GSS0.83
GTTGLUTATHIONEA,B1LJR0.83
GTTGLUTATHIONEA,B,C,D1OYJ0.83
GTTGLUTATHIONEA,B,C,D2E7P0.83
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.83
GTTGLUTATHIONEA,B,C,D2WEM0.83
GTTGLUTATHIONEA,B1K0A0.83
GTTGLUTATHIONEA,B3EE20.83
GTTGLUTATHIONEA3G5S0.83
GTTGLUTATHIONEA1HNL0.83
GTTGLUTATHIONEA,B,C,D1K0C0.83
GTTGLUTATHIONEA,B6GST0.83
GTTGLUTATHIONEA,B1TU70.83
GTTGLUTATHIONEA2H8A0.83
GTTGLUTATHIONEA,B,C,D2PMT0.83
GTTGLUTATHIONEA2UUH0.83
GTTGLUTATHIONEA,B1ZL90.83
GTTGLUTATHIONEA,B1QH50.83
GTTGLUTATHIONE1,21PD20.83
GTTGLUTATHIONEA,B3CSH0.83
GTTGLUTATHIONEA,C1JZR0.83
GTTGLUTATHIONEA2NTO0.83
GTTGLUTATHIONEA,B1KBN0.83
GTTGLUTATHIONEA3GRX0.83
GTTGLUTATHIONEA1B4Q0.83
GTTGLUTATHIONEA,B1PKW0.83
GTTGLUTATHIONEA1K0N0.83
GTTGLUTATHIONEA,B,C,D2DSA0.83
GTTGLUTATHIONEA,B2HNL0.83
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.83
GTTGLUTATHIONEA1GSA0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.83
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.83
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.82
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.81
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.8
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.8
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.8
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.8
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.8
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.8
GTSGLUTATHIONE SULFONIC ACIDA1M990.8
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.8
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.8
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.8
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.8
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.78
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.78
TS5GLUTATHIONYLSPERMIDINEA1I5G0.78
TS22-AMINO-4-[4-(4-AMINO-4-CARBOXY-
BUTYRYLAMINO)-5,8,19,22-TETRAOXO-
1,2-DITHIA-6,9,13,18,21-PENTAAZA-
CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
A3GRT0.78
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.78
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.77
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.76
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.76
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.76
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.76
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.75
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
A,B3DPM0.75
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.74
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.74
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.74
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.74
VAZN^6^-{(1R)-2-{[(1S,2R)-1-carboxy-
2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-
1-[(oxidosulfanyl)methyl]-2-oxoethyl}-
6-oxo-L-lysine
A2VBB0.74
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.72
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VE10.71
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VCM0.71
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.71
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE
A1HB10.71
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,N2Z810.71
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,B,C2Z7X0.71
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
A1W3V0.71
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.71
MXG2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-
4-CARBOXY-BUTYRYLAMINO]-6-AMINO-
HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-
5,6-DIHYDRO-2H-[1,3]THIAZINE-4-
CARBOXYLIC ACID
A,B1O070.7
APV6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-
3-HYDROXYMETHYL-7-OXO-4-THIA-1-
AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
A1ODN0.7
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.7