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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
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.82
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
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
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
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
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
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.72
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.71
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.74
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
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.76
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.78
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.78
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
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE
A1HB10.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.74
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.89
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
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.85
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.74
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.73
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
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
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
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.81
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.8
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.8
TS5GLUTATHIONYLSPERMIDINEA1I5G0.78
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.74
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
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
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
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
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
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.77
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
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.87
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.87
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
A1W3V0.71
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.78
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.76
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
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.71