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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03471692

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B,C,D1M2X0.71
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B1J370.71
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1UZF0.71
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B2FU80.71
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A2QDS0.71
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1JT10.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.73
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.73
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.74
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.76
GSHGLUTATHIONEA1EEM0.76
GSHGLUTATHIONEA,B1USB0.76
GSHGLUTATHIONEA3FZA0.76
GSHGLUTATHIONEA2IMF0.76
GSHGLUTATHIONEA,B1PX60.76
GSHGLUTATHIONEA,B1MD40.76
GSHGLUTATHIONEA2CZ20.76
GSHGLUTATHIONEA3FZ90.76
GSHGLUTATHIONEA,B,C,D1R4W0.76
GSHGLUTATHIONEA1ZHP0.76
GSHGLUTATHIONEA,B3E730.76
GSHGLUTATHIONEA1VF10.76
GSHGLUTATHIONEA3CRT0.76
GSHGLUTATHIONEA,B,C,D2VCX0.76
GSHGLUTATHIONEA,B,C,D1XW60.76
GSHGLUTATHIONEA3CRU0.76
GSHGLUTATHIONEA,B1B480.76
GSHGLUTATHIONEA2ZK20.76
GSHGLUTATHIONEA,B,C,D1IYH0.76
GSHGLUTATHIONEA,B,C,D1Q8M0.76
GSHGLUTATHIONEA,B,C,D2PBJ0.76
GSHGLUTATHIONEA,B,C,D2VCQ0.76
GSHGLUTATHIONEA1GRA0.76
GSHGLUTATHIONEA,B1QGJ0.76
GSHGLUTATHIONEA2HGS0.76
GSHGLUTATHIONEA,B,C,D2VD10.76
GSHGLUTATHIONEA1ZHM0.76
GSHGLUTATHIONEA,B,C,D2VCZ0.76
GSHGLUTATHIONEC1KCG0.76
GSHGLUTATHIONEA,B1MD30.76
GSHGLUTATHIONEA,B2IO90.76
GSHGLUTATHIONEA,B2JL40.76
GSHGLUTATHIONEA3DK80.76
GSHGLUTATHIONEA3DK40.76
GSHGLUTATHIONEA,B,D2VCW0.76
GSHGLUTATHIONEA,B1XW50.76
GSHGLUTATHIONEA,B3FHS0.76
GSHGLUTATHIONEA,B1Y1A0.76
GSHGLUTATHIONEA1GRE0.76
GSHGLUTATHIONEA,B2HT90.76
GSHGLUTATHIONEA,B1DUG0.76
GSHGLUTATHIONEA,B,C,D2VD00.76
GSHGLUTATHIONEA,B1TYP0.76
GSHGLUTATHIONEA2FLS0.76
GSHGLUTATHIONEA,B1OE80.76
GSHGLUTATHIONEA,B1PX70.76
GSHGLUTATHIONEA3C1S0.76
GSHGLUTATHIONEA,B1F3A0.76
GSHGLUTATHIONEA1FW10.76
GSHGLUTATHIONEA,B2IMI0.76
GSHGLUTATHIONEA,B1LBK0.76
GSHGLUTATHIONEA,B2HQM0.76
GSHGLUTATHIONEA,B1TDI0.76
GSHGLUTATHIONEA,B,C,D1V400.76
GSHGLUTATHIONEA,B,C,D1IYI0.76
GSHGLUTATHIONEA3D0Z0.76
GSHGLUTATHIONEA,B1ZGN0.76
GSHGLUTATHIONEA,B,C,D2CVD0.76
GSHGLUTATHIONEA,B3C8E0.76
GSHGLUTATHIONEA,B,C1YJ60.76
GSHGLUTATHIONEA2IMD0.76
GSHGLUTATHIONEA2IME0.76
GSHGLUTATHIONEA3BHJ0.76
GSHGLUTATHIONEA,B1OE70.76
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.74
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.74
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.72
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.74
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.79
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.79
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.71
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC90.71
IP1ISOPENICILLIN NA1QJE0.73
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.72
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
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.71
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.71
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.71
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.71
GTSGLUTATHIONE SULFONIC ACIDA1M990.71
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.71
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.71
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.71
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
A3GRT0.72
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.74
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.73
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.77
GTXS-HEXYLGLUTATHIONEA,B1AGS0.77
GTXS-HEXYLGLUTATHIONEA,B1PN90.77
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.77
GTXS-HEXYLGLUTATHIONEA,B2IMK0.77
GTXS-HEXYLGLUTATHIONEA,B4GSS0.77
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.77
GTXS-HEXYLGLUTATHIONEA,B2GLR0.77
GTXS-HEXYLGLUTATHIONEA,B2OA70.77
GTXS-HEXYLGLUTATHIONEA,C2AAW0.77
GTXS-HEXYLGLUTATHIONEA,B1VF20.77
GTXS-HEXYLGLUTATHIONEA1M9A0.77
GTXS-HEXYLGLUTATHIONEA,B17GS0.77
GTXS-HEXYLGLUTATHIONEA,B1K0A0.77
GTXS-HEXYLGLUTATHIONEA,B2R3X0.77
GTXS-HEXYLGLUTATHIONEA,B1GSU0.77
GTXS-HEXYLGLUTATHIONEA,B2C800.77
GTXS-HEXYLGLUTATHIONEA,B2R6K0.77
GTXS-HEXYLGLUTATHIONEA,B1PGT0.77
GTXS-HEXYLGLUTATHIONEA,B2J9H0.77
GTXS-HEXYLGLUTATHIONEA,B1K3L0.77
GTXS-HEXYLGLUTATHIONEA,B1GNW0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.77
GTXS-HEXYLGLUTATHIONEA,B1YDK0.77
GTXS-HEXYLGLUTATHIONEA,B9GSS0.77
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PWG0.72
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PW10.72
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
APV6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-
3-HYDROXYMETHYL-7-OXO-4-THIA-1-
AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
A1ODN0.73
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.71
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.71
TS5GLUTATHIONYLSPERMIDINEA1I5G0.73
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.8
GTTGLUTATHIONEA,B11GS0.76
GTTGLUTATHIONEA1GSN0.76
GTTGLUTATHIONEA,C1K0B0.76
GTTGLUTATHIONEA,B,C1K0D0.76
GTTGLUTATHIONEA,B6GSY0.76
GTTGLUTATHIONEA,B19GS0.76
GTTGLUTATHIONEA1FLJ0.76
GTTGLUTATHIONEA,B3DD30.76
GTTGLUTATHIONEA2PVQ0.76
GTTGLUTATHIONEA1DNC0.76
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.76
GTTGLUTATHIONEA,B,C,D3CSI0.76
GTTGLUTATHIONEA,B6GSS0.76
GTTGLUTATHIONEA2R4V0.76
GTTGLUTATHIONEA,B,C,D3FZ50.76
GTTGLUTATHIONEA,B3GSS0.76
GTTGLUTATHIONEA,B2F8F0.76
GTTGLUTATHIONEA,B1GSY0.76
GTTGLUTATHIONEA1PMT0.76
GTTGLUTATHIONEA,B1GSE0.76
GTTGLUTATHIONEA,B,C,D1F2E0.76
GTTGLUTATHIONEA1UW30.76
GTTGLUTATHIONEA,B1SS40.76
GTTGLUTATHIONEA,B5GSS0.76
GTTGLUTATHIONEA1GRX0.76
GTTGLUTATHIONEA,B7GSS0.76
GTTGLUTATHIONEA1UA50.76
GTTGLUTATHIONEA,B,C8GSS0.76
GTTGLUTATHIONEA,B1LJR0.76
GTTGLUTATHIONEA,B,C,D1OYJ0.76
GTTGLUTATHIONEA,B,C,D2E7P0.76
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.76
GTTGLUTATHIONEA,B,C,D2WEM0.76
GTTGLUTATHIONEA,B1K0A0.76
GTTGLUTATHIONEA,B3EE20.76
GTTGLUTATHIONEA3G5S0.76
GTTGLUTATHIONEA1HNL0.76
GTTGLUTATHIONEA,B,C,D1K0C0.76
GTTGLUTATHIONEA,B6GST0.76
GTTGLUTATHIONEA,B1TU70.76
GTTGLUTATHIONEA2H8A0.76
GTTGLUTATHIONEA,B,C,D2PMT0.76
GTTGLUTATHIONEA2UUH0.76
GTTGLUTATHIONEA,B1ZL90.76
GTTGLUTATHIONEA,B1QH50.76
GTTGLUTATHIONE1,21PD20.76
GTTGLUTATHIONEA,B3CSH0.76
GTTGLUTATHIONEA,C1JZR0.76
GTTGLUTATHIONEA2NTO0.76
GTTGLUTATHIONEA,B1KBN0.76
GTTGLUTATHIONEA3GRX0.76
GTTGLUTATHIONEA1B4Q0.76
GTTGLUTATHIONEA,B1PKW0.76
GTTGLUTATHIONEA1K0N0.76
GTTGLUTATHIONEA,B,C,D2DSA0.76
GTTGLUTATHIONEA,B2HNL0.76
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.76
GTTGLUTATHIONEA1GSA0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.76
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.76