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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00456578

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
DI63-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-
YL]PROPANOIC ACID
A2Q090.78
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
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.73
4FB(4S)-4-FLUORO-L-PROLINEA2Q6P0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.73
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid
A,B2E4Y0.78
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
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
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
BPR(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-
1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-
5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-
2-YL]-L-PROLINAMIDE
A,B,C,D2AJD0.71
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.76
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.76
DPRD-PROLINEP1MCB0.73
DPRD-PROLINEA,B,C,H,K,L2R5B0.73
DPRD-PROLINEA2KDQ0.73
DPRD-PROLINEP1MCS0.73
DPRD-PROLINEA,B2AXI0.73
DPRD-PROLINEA1JY90.73
DPRD-PROLINEA2JUE0.73
DPRD-PROLINEP1MCK0.73
DPRD-PROLINEP1MCR0.73
DPRD-PROLINEA2D550.73
DPRD-PROLINEA1T8J0.73
DPRD-PROLINEA,B2EJ60.73
DPRD-PROLINEP1MCE0.73
DPRD-PROLINEP1MCI0.73
DPRD-PROLINEA,B1SNE0.73
DPRD-PROLINEA,B,C1QFI0.73
DPRD-PROLINEA,P1MCD0.73
DPRD-PROLINEA1ICL0.73
DPRD-PROLINEP1MCQ0.73
DPRD-PROLINEG,M,P,S2I5Y0.73
DPRD-PROLINEA,B,C,D3BOG0.73
DPRD-PROLINEA,L1ZEA0.73
DPRD-PROLINEA,B173D0.73
DPRD-PROLINEA,P1MCJ0.73
DPRD-PROLINEA,B,C1A7Y0.73
DPRD-PROLINEA1IC90.73
DPRD-PROLINEA,B1JY60.73
DPRD-PROLINEA209D0.73
DPRD-PROLINEA1BFW0.73
DPRD-PROLINEA,B1O6I0.73
DPRD-PROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.73
DPRD-PROLINEA,B,C,D2R3C0.73
DPRD-PROLINEA,B,C,D1I3W0.73
DPRD-PROLINEA316D0.73
DPRD-PROLINEA,B,C,D1SN90.73
DPRD-PROLINEA,B,C,H,K,L2R5D0.73
DPRD-PROLINEA,B2Q330.73
DPRD-PROLINEG,M,P,S2I600.73
DPRD-PROLINEA,B1JY40.73
DPRD-PROLINEP1MCF0.73
DPRD-PROLINEA,B,C,D,E,F1UNM0.73
DPRD-PROLINEA1ICO0.73
DPRD-PROLINEA,B1XOF0.73
DPRD-PROLINEP1MCC0.73
DPRD-PROLINEA,B,C,D1SNA0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75