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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201293

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IP1ISOPENICILLIN NA1QJE0.72
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,D2AB60.91
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.89
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.89
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A1T3T0.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1A9X0.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,D,E,H,I,L3D540.72
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1CS00.72
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.87
GSHGLUTATHIONEA1EEM0.87
GSHGLUTATHIONEA,B1USB0.87
GSHGLUTATHIONEA3FZA0.87
GSHGLUTATHIONEA2IMF0.87
GSHGLUTATHIONEA,B1PX60.87
GSHGLUTATHIONEA,B1MD40.87
GSHGLUTATHIONEA2CZ20.87
GSHGLUTATHIONEA3FZ90.87
GSHGLUTATHIONEA,B,C,D1R4W0.87
GSHGLUTATHIONEA1ZHP0.87
GSHGLUTATHIONEA,B3E730.87
GSHGLUTATHIONEA1VF10.87
GSHGLUTATHIONEA3CRT0.87
GSHGLUTATHIONEA,B,C,D2VCX0.87
GSHGLUTATHIONEA,B,C,D1XW60.87
GSHGLUTATHIONEA3CRU0.87
GSHGLUTATHIONEA,B1B480.87
GSHGLUTATHIONEA2ZK20.87
GSHGLUTATHIONEA,B,C,D1IYH0.87
GSHGLUTATHIONEA,B,C,D1Q8M0.87
GSHGLUTATHIONEA,B,C,D2PBJ0.87
GSHGLUTATHIONEA,B,C,D2VCQ0.87
GSHGLUTATHIONEA1GRA0.87
GSHGLUTATHIONEA,B1QGJ0.87
GSHGLUTATHIONEA2HGS0.87
GSHGLUTATHIONEA,B,C,D2VD10.87
GSHGLUTATHIONEA1ZHM0.87
GSHGLUTATHIONEA,B,C,D2VCZ0.87
GSHGLUTATHIONEC1KCG0.87
GSHGLUTATHIONEA,B1MD30.87
GSHGLUTATHIONEA,B2IO90.87
GSHGLUTATHIONEA,B2JL40.87
GSHGLUTATHIONEA3DK80.87
GSHGLUTATHIONEA3DK40.87
GSHGLUTATHIONEA,B,D2VCW0.87
GSHGLUTATHIONEA,B1XW50.87
GSHGLUTATHIONEA,B3FHS0.87
GSHGLUTATHIONEA,B1Y1A0.87
GSHGLUTATHIONEA1GRE0.87
GSHGLUTATHIONEA,B2HT90.87
GSHGLUTATHIONEA,B1DUG0.87
GSHGLUTATHIONEA,B,C,D2VD00.87
GSHGLUTATHIONEA,B1TYP0.87
GSHGLUTATHIONEA2FLS0.87
GSHGLUTATHIONEA,B1OE80.87
GSHGLUTATHIONEA,B1PX70.87
GSHGLUTATHIONEA3C1S0.87
GSHGLUTATHIONEA,B1F3A0.87
GSHGLUTATHIONEA1FW10.87
GSHGLUTATHIONEA,B2IMI0.87
GSHGLUTATHIONEA,B1LBK0.87
GSHGLUTATHIONEA,B2HQM0.87
GSHGLUTATHIONEA,B1TDI0.87
GSHGLUTATHIONEA,B,C,D1V400.87
GSHGLUTATHIONEA,B,C,D1IYI0.87
GSHGLUTATHIONEA3D0Z0.87
GSHGLUTATHIONEA,B1ZGN0.87
GSHGLUTATHIONEA,B,C,D2CVD0.87
GSHGLUTATHIONEA,B3C8E0.87
GSHGLUTATHIONEA,B,C1YJ60.87
GSHGLUTATHIONEA2IMD0.87
GSHGLUTATHIONEA2IME0.87
GSHGLUTATHIONEA3BHJ0.87
GSHGLUTATHIONEA,B1OE70.87
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.72
TS5GLUTATHIONYLSPERMIDINEA1I5G0.82
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.75
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.71
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.79
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.79
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
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
A3GRT0.8
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.9
GTXS-HEXYLGLUTATHIONEA,B1AGS0.9
GTXS-HEXYLGLUTATHIONEA,B1PN90.9
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.9
GTXS-HEXYLGLUTATHIONEA,B2IMK0.9
GTXS-HEXYLGLUTATHIONEA,B4GSS0.9
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.9
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.9
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.9
GTXS-HEXYLGLUTATHIONEA,B2GLR0.9
GTXS-HEXYLGLUTATHIONEA,B2OA70.9
GTXS-HEXYLGLUTATHIONEA,C2AAW0.9
GTXS-HEXYLGLUTATHIONEA,B1VF20.9
GTXS-HEXYLGLUTATHIONEA1M9A0.9
GTXS-HEXYLGLUTATHIONEA,B17GS0.9
GTXS-HEXYLGLUTATHIONEA,B1K0A0.9
GTXS-HEXYLGLUTATHIONEA,B2R3X0.9
GTXS-HEXYLGLUTATHIONEA,B1GSU0.9
GTXS-HEXYLGLUTATHIONEA,B2C800.9
GTXS-HEXYLGLUTATHIONEA,B2R6K0.9
GTXS-HEXYLGLUTATHIONEA,B1PGT0.9
GTXS-HEXYLGLUTATHIONEA,B2J9H0.9
GTXS-HEXYLGLUTATHIONEA,B1K3L0.9
GTXS-HEXYLGLUTATHIONEA,B1GNW0.9
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.9
GTXS-HEXYLGLUTATHIONEA,B1YDK0.9
GTXS-HEXYLGLUTATHIONEA,B9GSS0.9
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.77
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.77
CYKN-hexanoyl-L-homocysteineA3DHC0.7
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.83
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.83
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.81
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.81
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.81
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.81
GTSGLUTATHIONE SULFONIC ACIDA1M990.81
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.81
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.81
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.81
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.74
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.87
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.74
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.74
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.73
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.72
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.78
ODA9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-
A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
D1D5Z0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.83
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.83
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.83
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.76
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.76
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.8
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.8
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.72
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.76
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.87
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.87
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.79
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.79
GTTGLUTATHIONEA,B11GS0.87
GTTGLUTATHIONEA1GSN0.87
GTTGLUTATHIONEA,C1K0B0.87
GTTGLUTATHIONEA,B,C1K0D0.87
GTTGLUTATHIONEA,B6GSY0.87
GTTGLUTATHIONEA,B19GS0.87
GTTGLUTATHIONEA1FLJ0.87
GTTGLUTATHIONEA,B3DD30.87
GTTGLUTATHIONEA2PVQ0.87
GTTGLUTATHIONEA1DNC0.87
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.87
GTTGLUTATHIONEA,B,C,D3CSI0.87
GTTGLUTATHIONEA,B6GSS0.87
GTTGLUTATHIONEA2R4V0.87
GTTGLUTATHIONEA,B,C,D3FZ50.87
GTTGLUTATHIONEA,B3GSS0.87
GTTGLUTATHIONEA,B2F8F0.87
GTTGLUTATHIONEA,B1GSY0.87
GTTGLUTATHIONEA1PMT0.87
GTTGLUTATHIONEA,B1GSE0.87
GTTGLUTATHIONEA,B,C,D1F2E0.87
GTTGLUTATHIONEA1UW30.87
GTTGLUTATHIONEA,B1SS40.87
GTTGLUTATHIONEA,B5GSS0.87
GTTGLUTATHIONEA1GRX0.87
GTTGLUTATHIONEA,B7GSS0.87
GTTGLUTATHIONEA1UA50.87
GTTGLUTATHIONEA,B,C8GSS0.87
GTTGLUTATHIONEA,B1LJR0.87
GTTGLUTATHIONEA,B,C,D1OYJ0.87
GTTGLUTATHIONEA,B,C,D2E7P0.87
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.87
GTTGLUTATHIONEA,B,C,D2WEM0.87
GTTGLUTATHIONEA,B1K0A0.87
GTTGLUTATHIONEA,B3EE20.87
GTTGLUTATHIONEA3G5S0.87
GTTGLUTATHIONEA1HNL0.87
GTTGLUTATHIONEA,B,C,D1K0C0.87
GTTGLUTATHIONEA,B6GST0.87
GTTGLUTATHIONEA,B1TU70.87
GTTGLUTATHIONEA2H8A0.87
GTTGLUTATHIONEA,B,C,D2PMT0.87
GTTGLUTATHIONEA2UUH0.87
GTTGLUTATHIONEA,B1ZL90.87
GTTGLUTATHIONEA,B1QH50.87
GTTGLUTATHIONE1,21PD20.87
GTTGLUTATHIONEA,B3CSH0.87
GTTGLUTATHIONEA,C1JZR0.87
GTTGLUTATHIONEA2NTO0.87
GTTGLUTATHIONEA,B1KBN0.87
GTTGLUTATHIONEA3GRX0.87
GTTGLUTATHIONEA1B4Q0.87
GTTGLUTATHIONEA,B1PKW0.87
GTTGLUTATHIONEA1K0N0.87
GTTGLUTATHIONEA,B,C,D2DSA0.87
GTTGLUTATHIONEA,B2HNL0.87
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.87
GTTGLUTATHIONEA1GSA0.87
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.82