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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863345

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
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.77
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.75
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.75
GGAD-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-
AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-
D-ALANINAMIDE
A,B2IOA0.71
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
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
CIRCITRULLINEA,B,C,D1J210.71
CIRCITRULLINEB1KOD0.71
CIRCITRULLINEA,B,C3B3I0.71
CIRCITRULLINEC3DTX0.71
CIRCITRULLINEA2C6Z0.71
CIRCITRULLINEA,C,E,F2W650.71
CIRCITRULLINEA,B2JAI0.71
CIRCITRULLINEP3FT20.71
CIRCITRULLINEA,B,C,D1J1Z0.71
CIRCITRULLINEA,B1LXY0.71
CIRCITRULLINEF,H1OL10.71
CIRCITRULLINEA1KP30.71
CIRCITRULLINEA2NZ20.71
CIRCITRULLINEA1H700.71
CIRCITRULLINEA1K970.71
CIRCITRULLINEC3B6S0.71
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
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.8
4FB(4S)-4-FLUORO-L-PROLINEA2Q6P0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.73
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.72
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.73
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.73
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
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.79
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.79
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F,
G,H,I,J
2DB40.7
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.7
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F1E790.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.81
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.81