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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03329486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.7
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.76
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.76
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.75
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.72
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.72
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.8
GSHGLUTATHIONEA1EEM0.8
GSHGLUTATHIONEA,B1USB0.8
GSHGLUTATHIONEA3FZA0.8
GSHGLUTATHIONEA2IMF0.8
GSHGLUTATHIONEA,B1PX60.8
GSHGLUTATHIONEA,B1MD40.8
GSHGLUTATHIONEA2CZ20.8
GSHGLUTATHIONEA3FZ90.8
GSHGLUTATHIONEA,B,C,D1R4W0.8
GSHGLUTATHIONEA1ZHP0.8
GSHGLUTATHIONEA,B3E730.8
GSHGLUTATHIONEA1VF10.8
GSHGLUTATHIONEA3CRT0.8
GSHGLUTATHIONEA,B,C,D2VCX0.8
GSHGLUTATHIONEA,B,C,D1XW60.8
GSHGLUTATHIONEA3CRU0.8
GSHGLUTATHIONEA,B1B480.8
GSHGLUTATHIONEA2ZK20.8
GSHGLUTATHIONEA,B,C,D1IYH0.8
GSHGLUTATHIONEA,B,C,D1Q8M0.8
GSHGLUTATHIONEA,B,C,D2PBJ0.8
GSHGLUTATHIONEA,B,C,D2VCQ0.8
GSHGLUTATHIONEA1GRA0.8
GSHGLUTATHIONEA,B1QGJ0.8
GSHGLUTATHIONEA2HGS0.8
GSHGLUTATHIONEA,B,C,D2VD10.8
GSHGLUTATHIONEA1ZHM0.8
GSHGLUTATHIONEA,B,C,D2VCZ0.8
GSHGLUTATHIONEC1KCG0.8
GSHGLUTATHIONEA,B1MD30.8
GSHGLUTATHIONEA,B2IO90.8
GSHGLUTATHIONEA,B2JL40.8
GSHGLUTATHIONEA3DK80.8
GSHGLUTATHIONEA3DK40.8
GSHGLUTATHIONEA,B,D2VCW0.8
GSHGLUTATHIONEA,B1XW50.8
GSHGLUTATHIONEA,B3FHS0.8
GSHGLUTATHIONEA,B1Y1A0.8
GSHGLUTATHIONEA1GRE0.8
GSHGLUTATHIONEA,B2HT90.8
GSHGLUTATHIONEA,B1DUG0.8
GSHGLUTATHIONEA,B,C,D2VD00.8
GSHGLUTATHIONEA,B1TYP0.8
GSHGLUTATHIONEA2FLS0.8
GSHGLUTATHIONEA,B1OE80.8
GSHGLUTATHIONEA,B1PX70.8
GSHGLUTATHIONEA3C1S0.8
GSHGLUTATHIONEA,B1F3A0.8
GSHGLUTATHIONEA1FW10.8
GSHGLUTATHIONEA,B2IMI0.8
GSHGLUTATHIONEA,B1LBK0.8
GSHGLUTATHIONEA,B2HQM0.8
GSHGLUTATHIONEA,B1TDI0.8
GSHGLUTATHIONEA,B,C,D1V400.8
GSHGLUTATHIONEA,B,C,D1IYI0.8
GSHGLUTATHIONEA3D0Z0.8
GSHGLUTATHIONEA,B1ZGN0.8
GSHGLUTATHIONEA,B,C,D2CVD0.8
GSHGLUTATHIONEA,B3C8E0.8
GSHGLUTATHIONEA,B,C1YJ60.8
GSHGLUTATHIONEA2IMD0.8
GSHGLUTATHIONEA2IME0.8
GSHGLUTATHIONEA3BHJ0.8
GSHGLUTATHIONEA,B1OE70.8
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.8
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.8
BGTTERT-BUTYL D-ALPHA-GLUTAMINATEA,B2AFU0.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.78
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.76
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.76
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.76
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.71
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.71
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.8
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.8
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
GGAD-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-
AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-
D-ALANINAMIDE
A,B2IOA0.73
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.76
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.76