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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03418388

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALYN(6)-ACETYLLYSINEA,B2B4D0.71
ALYN(6)-ACETYLLYSINEA,B2OD90.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.71
ALYN(6)-ACETYLLYSINEA,B2B5G0.71
ALYN(6)-ACETYLLYSINEA2GIV0.71
ALYN(6)-ACETYLLYSINEB2RNY0.71
ALYN(6)-ACETYLLYSINEA1JSP0.71
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.71
ALYN(6)-ACETYLLYSINEA,D3D4B0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.71
ALYN(6)-ACETYLLYSINEA,B2R0Y0.71
ALYN(6)-ACETYLLYSINEA3CZ70.71
ALYN(6)-ACETYLLYSINEA1JM40.71
ALYN(6)-ACETYLLYSINEA,B2H4H0.71
ALYN(6)-ACETYLLYSINEA,B2J6V0.71
ALYN(6)-ACETYLLYSINEA,B2R100.71
ALYN(6)-ACETYLLYSINEA,B1YC50.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.71
ALYN(6)-ACETYLLYSINEA,B2H2G0.71
ALYN(6)-ACETYLLYSINEA,D2H4F0.71
ALYN(6)-ACETYLLYSINEA2OU20.71
ALYN(6)-ACETYLLYSINEA,B1S5P0.71
ALYN(6)-ACETYLLYSINEB2RNW0.71
ALYN(6)-ACETYLLYSINEA3D350.71
ALYN(6)-ACETYLLYSINEA,B2OD20.71
ALYN(6)-ACETYLLYSINEA2ZFN0.71
ALYN(6)-ACETYLLYSINEC,D2C1J0.71
ALYN(6)-ACETYLLYSINEA,B2QQG0.71
ALYN(6)-ACETYLLYSINEB2RNX0.71
ALYN(6)-ACETYLLYSINEA,B1MA30.71
ALYN(6)-ACETYLLYSINEA,B2H2H0.71
ALYN(6)-ACETYLLYSINEA2I2Z0.71
ALYN(6)-ACETYLLYSINEA,B2OD70.71
ALYN(6)-ACETYLLYSINEP1E6I0.71
ALYN(6)-ACETYLLYSINEA,B1SZC0.71
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.71
ALYN(6)-ACETYLLYSINEA,B2H2D0.71
ALYN(6)-ACETYLLYSINEA,B1Q1A0.71
ALYN(6)-ACETYLLYSINEA,B1SZD0.71
ALYN(6)-ACETYLLYSINEQ,R2E3K0.71
ALYN(6)-ACETYLLYSINEA2OZU0.71
ALYN(6)-ACETYLLYSINEA,B2QQF0.71
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.7
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRK0.74
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRL0.74
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.8
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.83
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.83
IP1ISOPENICILLIN NA1QJE0.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.73
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.72
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
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1ODM0.94
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1OBN0.94
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1OC10.94
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
A1W3V0.73
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.83
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.76
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.86
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.86
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.74
CDHD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-ISODEHYDROVALINE
A1UZW1
P1CDEACETOXYCEPHALOSPORIN-CA1UOG0.7
P1CDEACETOXYCEPHALOSPORIN-CA1W2O0.7
NSKN-SUCCINYL LYSINEA2P8B0.7
HJ2(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-
5-methyl-3,6-dihydro-2H-1,3-thiazine-
4-carboxylic acid
A3BEC0.7
2NHN-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-
2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-
L-ISOLEUCYL-L-METHIONINE
B1O1T0.73
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.7
RECCEPHALOSPORINA,B,C,D2VGJ0.75
CYKN-hexanoyl-L-homocysteineA3DHC0.78
TS5GLUTATHIONYLSPERMIDINEA1I5G0.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE
A1W3X0.75
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE
A2VE10.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.87
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.87
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.87
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.87
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE
A1HB10.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.7
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.71
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.7
T662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
THYMINE
B1NR80.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
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
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VE10.73
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VCM0.73
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.73
GTXS-HEXYLGLUTATHIONEA,B1AGS0.73
GTXS-HEXYLGLUTATHIONEA,B1PN90.73
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.73
GTXS-HEXYLGLUTATHIONEA,B2IMK0.73
GTXS-HEXYLGLUTATHIONEA,B4GSS0.73
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.73
GTXS-HEXYLGLUTATHIONEA,B2GLR0.73
GTXS-HEXYLGLUTATHIONEA,B2OA70.73
GTXS-HEXYLGLUTATHIONEA,C2AAW0.73
GTXS-HEXYLGLUTATHIONEA,B1VF20.73
GTXS-HEXYLGLUTATHIONEA1M9A0.73
GTXS-HEXYLGLUTATHIONEA,B17GS0.73
GTXS-HEXYLGLUTATHIONEA,B1K0A0.73
GTXS-HEXYLGLUTATHIONEA,B2R3X0.73
GTXS-HEXYLGLUTATHIONEA,B1GSU0.73
GTXS-HEXYLGLUTATHIONEA,B2C800.73
GTXS-HEXYLGLUTATHIONEA,B2R6K0.73
GTXS-HEXYLGLUTATHIONEA,B1PGT0.73
GTXS-HEXYLGLUTATHIONEA,B2J9H0.73
GTXS-HEXYLGLUTATHIONEA,B1K3L0.73
GTXS-HEXYLGLUTATHIONEA,B1GNW0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.73
GTXS-HEXYLGLUTATHIONEA,B1YDK0.73
GTXS-HEXYLGLUTATHIONEA,B9GSS0.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.88
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.88
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.88