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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00468426

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.78
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.7
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.7
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.7
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.7
GTSGLUTATHIONE SULFONIC ACIDA1M990.7
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.7
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.7
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.7
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.75
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.75
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide		A,B,C3DUY0.78
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.73
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
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine		A2VBP0.75
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
GTTGLUTATHIONEA,B11GS0.75
GTTGLUTATHIONEA1GSN0.75
GTTGLUTATHIONEA,C1K0B0.75
GTTGLUTATHIONEA,B,C1K0D0.75
GTTGLUTATHIONEA,B6GSY0.75
GTTGLUTATHIONEA,B19GS0.75
GTTGLUTATHIONEA1FLJ0.75
GTTGLUTATHIONEA,B3DD30.75
GTTGLUTATHIONEA2PVQ0.75
GTTGLUTATHIONEA1DNC0.75
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L		2PNO0.75
GTTGLUTATHIONEA,B,C,D3CSI0.75
GTTGLUTATHIONEA,B6GSS0.75
GTTGLUTATHIONEA2R4V0.75
GTTGLUTATHIONEA,B,C,D3FZ50.75
GTTGLUTATHIONEA,B3GSS0.75
GTTGLUTATHIONEA,B2F8F0.75
GTTGLUTATHIONEA,B1GSY0.75
GTTGLUTATHIONEA1PMT0.75
GTTGLUTATHIONEA,B1GSE0.75
GTTGLUTATHIONEA,B,C,D1F2E0.75
GTTGLUTATHIONEA1UW30.75
GTTGLUTATHIONEA,B1SS40.75
GTTGLUTATHIONEA,B5GSS0.75
GTTGLUTATHIONEA1GRX0.75
GTTGLUTATHIONEA,B7GSS0.75
GTTGLUTATHIONEA1UA50.75
GTTGLUTATHIONEA,B,C8GSS0.75
GTTGLUTATHIONEA,B1LJR0.75
GTTGLUTATHIONEA,B,C,D1OYJ0.75
GTTGLUTATHIONEA,B,C,D2E7P0.75
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.75
GTTGLUTATHIONEA,B,C,D2WEM0.75
GTTGLUTATHIONEA,B1K0A0.75
GTTGLUTATHIONEA,B3EE20.75
GTTGLUTATHIONEA3G5S0.75
GTTGLUTATHIONEA1HNL0.75
GTTGLUTATHIONEA,B,C,D1K0C0.75
GTTGLUTATHIONEA,B6GST0.75
GTTGLUTATHIONEA,B1TU70.75
GTTGLUTATHIONEA2H8A0.75
GTTGLUTATHIONEA,B,C,D2PMT0.75
GTTGLUTATHIONEA2UUH0.75
GTTGLUTATHIONEA,B1ZL90.75
GTTGLUTATHIONEA,B1QH50.75
GTTGLUTATHIONE1,21PD20.75
GTTGLUTATHIONEA,B3CSH0.75
GTTGLUTATHIONEA,C1JZR0.75
GTTGLUTATHIONEA2NTO0.75
GTTGLUTATHIONEA,B1KBN0.75
GTTGLUTATHIONEA3GRX0.75
GTTGLUTATHIONEA1B4Q0.75
GTTGLUTATHIONEA,B1PKW0.75
GTTGLUTATHIONEA1K0N0.75
GTTGLUTATHIONEA,B,C,D2DSA0.75
GTTGLUTATHIONEA,B2HNL0.75
GTTGLUTATHIONEA,B,C,D,E,F,
G,H		2ON50.75
GTTGLUTATHIONEA1GSA0.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.75
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.73
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		A3GRT0.71
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
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W030.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W040.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H		2VCR0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VCV0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.74
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.74
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.74
CYKN-hexanoyl-L-homocysteineA3DHC0.72
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid		A3BEB0.76
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.7
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.7
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.72
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.76
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
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine		A,B,C,D3CRK0.7
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine		A,B,C,D3CRL0.7
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid		A3D7G0.76
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.71
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE		A2BU90.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.7
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.75
IP1ISOPENICILLIN NA1QJE0.71
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.81
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.7
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
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.72
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID		A3BHM0.78
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID		A,B1MC50.78
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.78
AUAA,B,C1YM20.74
TS5GLUTATHIONYLSPERMIDINEA1I5G0.73
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.75
GSHGLUTATHIONEA1EEM0.75
GSHGLUTATHIONEA,B1USB0.75
GSHGLUTATHIONEA3FZA0.75
GSHGLUTATHIONEA2IMF0.75
GSHGLUTATHIONEA,B1PX60.75
GSHGLUTATHIONEA,B1MD40.75
GSHGLUTATHIONEA2CZ20.75
GSHGLUTATHIONEA3FZ90.75
GSHGLUTATHIONEA,B,C,D1R4W0.75
GSHGLUTATHIONEA1ZHP0.75
GSHGLUTATHIONEA,B3E730.75
GSHGLUTATHIONEA1VF10.75
GSHGLUTATHIONEA3CRT0.75
GSHGLUTATHIONEA,B,C,D2VCX0.75
GSHGLUTATHIONEA,B,C,D1XW60.75
GSHGLUTATHIONEA3CRU0.75
GSHGLUTATHIONEA,B1B480.75
GSHGLUTATHIONEA2ZK20.75
GSHGLUTATHIONEA,B,C,D1IYH0.75
GSHGLUTATHIONEA,B,C,D1Q8M0.75
GSHGLUTATHIONEA,B,C,D2PBJ0.75
GSHGLUTATHIONEA,B,C,D2VCQ0.75
GSHGLUTATHIONEA1GRA0.75
GSHGLUTATHIONEA,B1QGJ0.75
GSHGLUTATHIONEA2HGS0.75
GSHGLUTATHIONEA,B,C,D2VD10.75
GSHGLUTATHIONEA1ZHM0.75
GSHGLUTATHIONEA,B,C,D2VCZ0.75
GSHGLUTATHIONEC1KCG0.75
GSHGLUTATHIONEA,B1MD30.75
GSHGLUTATHIONEA,B2IO90.75
GSHGLUTATHIONEA,B2JL40.75
GSHGLUTATHIONEA3DK80.75
GSHGLUTATHIONEA3DK40.75
GSHGLUTATHIONEA,B,D2VCW0.75
GSHGLUTATHIONEA,B1XW50.75
GSHGLUTATHIONEA,B3FHS0.75
GSHGLUTATHIONEA,B1Y1A0.75
GSHGLUTATHIONEA1GRE0.75
GSHGLUTATHIONEA,B2HT90.75
GSHGLUTATHIONEA,B1DUG0.75
GSHGLUTATHIONEA,B,C,D2VD00.75
GSHGLUTATHIONEA,B1TYP0.75
GSHGLUTATHIONEA2FLS0.75
GSHGLUTATHIONEA,B1OE80.75
GSHGLUTATHIONEA,B1PX70.75
GSHGLUTATHIONEA3C1S0.75
GSHGLUTATHIONEA,B1F3A0.75
GSHGLUTATHIONEA1FW10.75
GSHGLUTATHIONEA,B2IMI0.75
GSHGLUTATHIONEA,B1LBK0.75
GSHGLUTATHIONEA,B2HQM0.75
GSHGLUTATHIONEA,B1TDI0.75
GSHGLUTATHIONEA,B,C,D1V400.75
GSHGLUTATHIONEA,B,C,D1IYI0.75
GSHGLUTATHIONEA3D0Z0.75
GSHGLUTATHIONEA,B1ZGN0.75
GSHGLUTATHIONEA,B,C,D2CVD0.75
GSHGLUTATHIONEA,B3C8E0.75
GSHGLUTATHIONEA,B,C1YJ60.75
GSHGLUTATHIONEA2IMD0.75
GSHGLUTATHIONEA2IME0.75
GSHGLUTATHIONEA3BHJ0.75
GSHGLUTATHIONEA,B1OE70.75
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.8
HJ2(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-
5-methyl-3,6-dihydro-2H-1,3-thiazine-
4-carboxylic acid		A3BEC0.71
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.7
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE		A1QIQ0.78
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.71