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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483940

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.7
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.74
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.74
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.74
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,B,C,D2APH0.77
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDB2FCI0.77
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA1B9U0.77
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,P1TWQ0.77
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
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.73
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.72
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.72
DI63-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-
YL]PROPANOIC ACID
A2Q090.79
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.78
GSHGLUTATHIONEA1EEM0.78
GSHGLUTATHIONEA,B1USB0.78
GSHGLUTATHIONEA3FZA0.78
GSHGLUTATHIONEA2IMF0.78
GSHGLUTATHIONEA,B1PX60.78
GSHGLUTATHIONEA,B1MD40.78
GSHGLUTATHIONEA2CZ20.78
GSHGLUTATHIONEA3FZ90.78
GSHGLUTATHIONEA,B,C,D1R4W0.78
GSHGLUTATHIONEA1ZHP0.78
GSHGLUTATHIONEA,B3E730.78
GSHGLUTATHIONEA1VF10.78
GSHGLUTATHIONEA3CRT0.78
GSHGLUTATHIONEA,B,C,D2VCX0.78
GSHGLUTATHIONEA,B,C,D1XW60.78
GSHGLUTATHIONEA3CRU0.78
GSHGLUTATHIONEA,B1B480.78
GSHGLUTATHIONEA2ZK20.78
GSHGLUTATHIONEA,B,C,D1IYH0.78
GSHGLUTATHIONEA,B,C,D1Q8M0.78
GSHGLUTATHIONEA,B,C,D2PBJ0.78
GSHGLUTATHIONEA,B,C,D2VCQ0.78
GSHGLUTATHIONEA1GRA0.78
GSHGLUTATHIONEA,B1QGJ0.78
GSHGLUTATHIONEA2HGS0.78
GSHGLUTATHIONEA,B,C,D2VD10.78
GSHGLUTATHIONEA1ZHM0.78
GSHGLUTATHIONEA,B,C,D2VCZ0.78
GSHGLUTATHIONEC1KCG0.78
GSHGLUTATHIONEA,B1MD30.78
GSHGLUTATHIONEA,B2IO90.78
GSHGLUTATHIONEA,B2JL40.78
GSHGLUTATHIONEA3DK80.78
GSHGLUTATHIONEA3DK40.78
GSHGLUTATHIONEA,B,D2VCW0.78
GSHGLUTATHIONEA,B1XW50.78
GSHGLUTATHIONEA,B3FHS0.78
GSHGLUTATHIONEA,B1Y1A0.78
GSHGLUTATHIONEA1GRE0.78
GSHGLUTATHIONEA,B2HT90.78
GSHGLUTATHIONEA,B1DUG0.78
GSHGLUTATHIONEA,B,C,D2VD00.78
GSHGLUTATHIONEA,B1TYP0.78
GSHGLUTATHIONEA2FLS0.78
GSHGLUTATHIONEA,B1OE80.78
GSHGLUTATHIONEA,B1PX70.78
GSHGLUTATHIONEA3C1S0.78
GSHGLUTATHIONEA,B1F3A0.78
GSHGLUTATHIONEA1FW10.78
GSHGLUTATHIONEA,B2IMI0.78
GSHGLUTATHIONEA,B1LBK0.78
GSHGLUTATHIONEA,B2HQM0.78
GSHGLUTATHIONEA,B1TDI0.78
GSHGLUTATHIONEA,B,C,D1V400.78
GSHGLUTATHIONEA,B,C,D1IYI0.78
GSHGLUTATHIONEA3D0Z0.78
GSHGLUTATHIONEA,B1ZGN0.78
GSHGLUTATHIONEA,B,C,D2CVD0.78
GSHGLUTATHIONEA,B3C8E0.78
GSHGLUTATHIONEA,B,C1YJ60.78
GSHGLUTATHIONEA2IMD0.78
GSHGLUTATHIONEA2IME0.78
GSHGLUTATHIONEA3BHJ0.78
GSHGLUTATHIONEA,B1OE70.78
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid
A,B2E4Y0.72
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.74
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.74
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
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.76
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.76
DGND-GLUTAMINEA,D2Q3I0.73
DGND-GLUTAMINEA,L1ZEA0.73
DGND-GLUTAMINEA,B2FCM0.73
DGND-GLUTAMINEA1BFW0.73
DGND-GLUTAMINEE1EPR0.73
DGND-GLUTAMINEA2JX40.73
DGND-GLUTAMINEA,B,C,D2R3C0.73
DGND-GLUTAMINEA,B,C,H,K,L2R5D0.73
DGND-GLUTAMINEA,B2Q330.73
DGND-GLUTAMINEA,B,C,H,K,L2R5B0.73
DGND-GLUTAMINEA,B,C1YJ10.73
DGND-GLUTAMINEA1B740.73
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