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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01792587

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,D1M2X0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B1J370.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1UZF0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B2FU80.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A2QDS0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1JT10.76
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
A1PWG0.71
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
A1PW10.71
A14(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-
5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-
6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-
4-CARBOXYLIC ACID
A2JB40.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.73
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.73
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.7
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.7
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.73
2NHN-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-
2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-
L-ISOLEUCYL-L-METHIONINE
B1O1T0.7
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.71
BG33-METHYL-5-SULFO-PYRROLIDINE-2-
CARBOXYLIC ACID
A1TV40.7
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.73
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.72
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.72
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.72
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.72
GTSGLUTATHIONE SULFONIC ACIDA1M990.72
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.72
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.72
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.72
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.77
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.77
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.73
GTTGLUTATHIONEA,B11GS0.77
GTTGLUTATHIONEA1GSN0.77
GTTGLUTATHIONEA,C1K0B0.77
GTTGLUTATHIONEA,B,C1K0D0.77
GTTGLUTATHIONEA,B6GSY0.77
GTTGLUTATHIONEA,B19GS0.77
GTTGLUTATHIONEA1FLJ0.77
GTTGLUTATHIONEA,B3DD30.77
GTTGLUTATHIONEA2PVQ0.77
GTTGLUTATHIONEA1DNC0.77
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.77
GTTGLUTATHIONEA,B,C,D3CSI0.77
GTTGLUTATHIONEA,B6GSS0.77
GTTGLUTATHIONEA2R4V0.77
GTTGLUTATHIONEA,B,C,D3FZ50.77
GTTGLUTATHIONEA,B3GSS0.77
GTTGLUTATHIONEA,B2F8F0.77
GTTGLUTATHIONEA,B1GSY0.77
GTTGLUTATHIONEA1PMT0.77
GTTGLUTATHIONEA,B1GSE0.77
GTTGLUTATHIONEA,B,C,D1F2E0.77
GTTGLUTATHIONEA1UW30.77
GTTGLUTATHIONEA,B1SS40.77
GTTGLUTATHIONEA,B5GSS0.77
GTTGLUTATHIONEA1GRX0.77
GTTGLUTATHIONEA,B7GSS0.77
GTTGLUTATHIONEA1UA50.77
GTTGLUTATHIONEA,B,C8GSS0.77
GTTGLUTATHIONEA,B1LJR0.77
GTTGLUTATHIONEA,B,C,D1OYJ0.77
GTTGLUTATHIONEA,B,C,D2E7P0.77
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.77
GTTGLUTATHIONEA,B,C,D2WEM0.77
GTTGLUTATHIONEA,B1K0A0.77
GTTGLUTATHIONEA,B3EE20.77
GTTGLUTATHIONEA3G5S0.77
GTTGLUTATHIONEA1HNL0.77
GTTGLUTATHIONEA,B,C,D1K0C0.77
GTTGLUTATHIONEA,B6GST0.77
GTTGLUTATHIONEA,B1TU70.77
GTTGLUTATHIONEA2H8A0.77
GTTGLUTATHIONEA,B,C,D2PMT0.77
GTTGLUTATHIONEA2UUH0.77
GTTGLUTATHIONEA,B1ZL90.77
GTTGLUTATHIONEA,B1QH50.77
GTTGLUTATHIONE1,21PD20.77
GTTGLUTATHIONEA,B3CSH0.77
GTTGLUTATHIONEA,C1JZR0.77
GTTGLUTATHIONEA2NTO0.77
GTTGLUTATHIONEA,B1KBN0.77
GTTGLUTATHIONEA3GRX0.77
GTTGLUTATHIONEA1B4Q0.77
GTTGLUTATHIONEA,B1PKW0.77
GTTGLUTATHIONEA1K0N0.77
GTTGLUTATHIONEA,B,C,D2DSA0.77
GTTGLUTATHIONEA,B2HNL0.77
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.77
GTTGLUTATHIONEA1GSA0.77
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.82
GTXS-HEXYLGLUTATHIONEA,B1AGS0.82
GTXS-HEXYLGLUTATHIONEA,B1PN90.82
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.82
GTXS-HEXYLGLUTATHIONEA,B2IMK0.82
GTXS-HEXYLGLUTATHIONEA,B4GSS0.82
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.82
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.82
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.82
GTXS-HEXYLGLUTATHIONEA,B2GLR0.82
GTXS-HEXYLGLUTATHIONEA,B2OA70.82
GTXS-HEXYLGLUTATHIONEA,C2AAW0.82
GTXS-HEXYLGLUTATHIONEA,B1VF20.82
GTXS-HEXYLGLUTATHIONEA1M9A0.82
GTXS-HEXYLGLUTATHIONEA,B17GS0.82
GTXS-HEXYLGLUTATHIONEA,B1K0A0.82
GTXS-HEXYLGLUTATHIONEA,B2R3X0.82
GTXS-HEXYLGLUTATHIONEA,B1GSU0.82
GTXS-HEXYLGLUTATHIONEA,B2C800.82
GTXS-HEXYLGLUTATHIONEA,B2R6K0.82
GTXS-HEXYLGLUTATHIONEA,B1PGT0.82
GTXS-HEXYLGLUTATHIONEA,B2J9H0.82
GTXS-HEXYLGLUTATHIONEA,B1K3L0.82
GTXS-HEXYLGLUTATHIONEA,B1GNW0.82
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.82
GTXS-HEXYLGLUTATHIONEA,B1YDK0.82
GTXS-HEXYLGLUTATHIONEA,B9GSS0.82
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.71
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
ODA9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-
A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
D1D5Z0.71
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.72
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.75
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.72
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.77
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.77
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.76
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.73
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.79
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.77
GSHGLUTATHIONEA1EEM0.77
GSHGLUTATHIONEA,B1USB0.77
GSHGLUTATHIONEA3FZA0.77
GSHGLUTATHIONEA2IMF0.77
GSHGLUTATHIONEA,B1PX60.77
GSHGLUTATHIONEA,B1MD40.77
GSHGLUTATHIONEA2CZ20.77
GSHGLUTATHIONEA3FZ90.77
GSHGLUTATHIONEA,B,C,D1R4W0.77
GSHGLUTATHIONEA1ZHP0.77
GSHGLUTATHIONEA,B3E730.77
GSHGLUTATHIONEA1VF10.77
GSHGLUTATHIONEA3CRT0.77
GSHGLUTATHIONEA,B,C,D2VCX0.77
GSHGLUTATHIONEA,B,C,D1XW60.77
GSHGLUTATHIONEA3CRU0.77
GSHGLUTATHIONEA,B1B480.77
GSHGLUTATHIONEA2ZK20.77
GSHGLUTATHIONEA,B,C,D1IYH0.77
GSHGLUTATHIONEA,B,C,D1Q8M0.77
GSHGLUTATHIONEA,B,C,D2PBJ0.77
GSHGLUTATHIONEA,B,C,D2VCQ0.77
GSHGLUTATHIONEA1GRA0.77
GSHGLUTATHIONEA,B1QGJ0.77
GSHGLUTATHIONEA2HGS0.77
GSHGLUTATHIONEA,B,C,D2VD10.77
GSHGLUTATHIONEA1ZHM0.77
GSHGLUTATHIONEA,B,C,D2VCZ0.77
GSHGLUTATHIONEC1KCG0.77
GSHGLUTATHIONEA,B1MD30.77
GSHGLUTATHIONEA,B2IO90.77
GSHGLUTATHIONEA,B2JL40.77
GSHGLUTATHIONEA3DK80.77
GSHGLUTATHIONEA3DK40.77
GSHGLUTATHIONEA,B,D2VCW0.77
GSHGLUTATHIONEA,B1XW50.77
GSHGLUTATHIONEA,B3FHS0.77
GSHGLUTATHIONEA,B1Y1A0.77
GSHGLUTATHIONEA1GRE0.77
GSHGLUTATHIONEA,B2HT90.77
GSHGLUTATHIONEA,B1DUG0.77
GSHGLUTATHIONEA,B,C,D2VD00.77
GSHGLUTATHIONEA,B1TYP0.77
GSHGLUTATHIONEA2FLS0.77
GSHGLUTATHIONEA,B1OE80.77
GSHGLUTATHIONEA,B1PX70.77
GSHGLUTATHIONEA3C1S0.77
GSHGLUTATHIONEA,B1F3A0.77
GSHGLUTATHIONEA1FW10.77
GSHGLUTATHIONEA,B2IMI0.77
GSHGLUTATHIONEA,B1LBK0.77
GSHGLUTATHIONEA,B2HQM0.77
GSHGLUTATHIONEA,B1TDI0.77
GSHGLUTATHIONEA,B,C,D1V400.77
GSHGLUTATHIONEA,B,C,D1IYI0.77
GSHGLUTATHIONEA3D0Z0.77
GSHGLUTATHIONEA,B1ZGN0.77
GSHGLUTATHIONEA,B,C,D2CVD0.77
GSHGLUTATHIONEA,B3C8E0.77
GSHGLUTATHIONEA,B,C1YJ60.77
GSHGLUTATHIONEA2IMD0.77
GSHGLUTATHIONEA2IME0.77
GSHGLUTATHIONEA3BHJ0.77
GSHGLUTATHIONEA,B1OE70.77
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.76
IP1ISOPENICILLIN NA1QJE0.76
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.74
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.73
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.75
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.72
TS5GLUTATHIONYLSPERMIDINEA1I5G0.74
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
A,B3DPM0.72
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.82
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.7
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
A3GRT0.73
RCYS-[(3S,3'R)-1'-hydroxy-2',2',5',5'-
tetramethyl-2,5-dioxo-1,3'-bipyrrolidin-
3-yl]-L-cysteine
A2JU40.72