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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02142375

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
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1ODM0.71
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1OBN0.71
ASVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-VINYLGLYCINE
A1OC10.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.71
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
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.74
GTTGLUTATHIONEA,B11GS0.74
GTTGLUTATHIONEA1GSN0.74
GTTGLUTATHIONEA,C1K0B0.74
GTTGLUTATHIONEA,B,C1K0D0.74
GTTGLUTATHIONEA,B6GSY0.74
GTTGLUTATHIONEA,B19GS0.74
GTTGLUTATHIONEA1FLJ0.74
GTTGLUTATHIONEA,B3DD30.74
GTTGLUTATHIONEA2PVQ0.74
GTTGLUTATHIONEA1DNC0.74
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.74
GTTGLUTATHIONEA,B,C,D3CSI0.74
GTTGLUTATHIONEA,B6GSS0.74
GTTGLUTATHIONEA2R4V0.74
GTTGLUTATHIONEA,B,C,D3FZ50.74
GTTGLUTATHIONEA,B3GSS0.74
GTTGLUTATHIONEA,B2F8F0.74
GTTGLUTATHIONEA,B1GSY0.74
GTTGLUTATHIONEA1PMT0.74
GTTGLUTATHIONEA,B1GSE0.74
GTTGLUTATHIONEA,B,C,D1F2E0.74
GTTGLUTATHIONEA1UW30.74
GTTGLUTATHIONEA,B1SS40.74
GTTGLUTATHIONEA,B5GSS0.74
GTTGLUTATHIONEA1GRX0.74
GTTGLUTATHIONEA,B7GSS0.74
GTTGLUTATHIONEA1UA50.74
GTTGLUTATHIONEA,B,C8GSS0.74
GTTGLUTATHIONEA,B1LJR0.74
GTTGLUTATHIONEA,B,C,D1OYJ0.74
GTTGLUTATHIONEA,B,C,D2E7P0.74
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.74
GTTGLUTATHIONEA,B,C,D2WEM0.74
GTTGLUTATHIONEA,B1K0A0.74
GTTGLUTATHIONEA,B3EE20.74
GTTGLUTATHIONEA3G5S0.74
GTTGLUTATHIONEA1HNL0.74
GTTGLUTATHIONEA,B,C,D1K0C0.74
GTTGLUTATHIONEA,B6GST0.74
GTTGLUTATHIONEA,B1TU70.74
GTTGLUTATHIONEA2H8A0.74
GTTGLUTATHIONEA,B,C,D2PMT0.74
GTTGLUTATHIONEA2UUH0.74
GTTGLUTATHIONEA,B1ZL90.74
GTTGLUTATHIONEA,B1QH50.74
GTTGLUTATHIONE1,21PD20.74
GTTGLUTATHIONEA,B3CSH0.74
GTTGLUTATHIONEA,C1JZR0.74
GTTGLUTATHIONEA2NTO0.74
GTTGLUTATHIONEA,B1KBN0.74
GTTGLUTATHIONEA3GRX0.74
GTTGLUTATHIONEA1B4Q0.74
GTTGLUTATHIONEA,B1PKW0.74
GTTGLUTATHIONEA1K0N0.74
GTTGLUTATHIONEA,B,C,D2DSA0.74
GTTGLUTATHIONEA,B2HNL0.74
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.74
GTTGLUTATHIONEA1GSA0.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.73
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.74
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.74
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.72
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.79
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LCZ0.7
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LEL0.7
CYKN-hexanoyl-L-homocysteineA3DHC0.78
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.76
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.72
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.75
TS5GLUTATHIONYLSPERMIDINEA1I5G0.72
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.75
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.8
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.8
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.75
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.78
GTXS-HEXYLGLUTATHIONEA,B1AGS0.78
GTXS-HEXYLGLUTATHIONEA,B1PN90.78
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.78
GTXS-HEXYLGLUTATHIONEA,B2IMK0.78
GTXS-HEXYLGLUTATHIONEA,B4GSS0.78
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.78
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.78
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.78
GTXS-HEXYLGLUTATHIONEA,B2GLR0.78
GTXS-HEXYLGLUTATHIONEA,B2OA70.78
GTXS-HEXYLGLUTATHIONEA,C2AAW0.78
GTXS-HEXYLGLUTATHIONEA,B1VF20.78
GTXS-HEXYLGLUTATHIONEA1M9A0.78
GTXS-HEXYLGLUTATHIONEA,B17GS0.78
GTXS-HEXYLGLUTATHIONEA,B1K0A0.78
GTXS-HEXYLGLUTATHIONEA,B2R3X0.78
GTXS-HEXYLGLUTATHIONEA,B1GSU0.78
GTXS-HEXYLGLUTATHIONEA,B2C800.78
GTXS-HEXYLGLUTATHIONEA,B2R6K0.78
GTXS-HEXYLGLUTATHIONEA,B1PGT0.78
GTXS-HEXYLGLUTATHIONEA,B2J9H0.78
GTXS-HEXYLGLUTATHIONEA,B1K3L0.78
GTXS-HEXYLGLUTATHIONEA,B1GNW0.78
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.78
GTXS-HEXYLGLUTATHIONEA,B1YDK0.78
GTXS-HEXYLGLUTATHIONEA,B9GSS0.78
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PWG0.72
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PW10.72
IP1ISOPENICILLIN NA1QJE0.76
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.76
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.79
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.79
APV6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-
3-HYDROXYMETHYL-7-OXO-4-THIA-1-
AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
A1ODN0.73
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.79
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.72
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.74
GSHGLUTATHIONEA1EEM0.74
GSHGLUTATHIONEA,B1USB0.74
GSHGLUTATHIONEA3FZA0.74
GSHGLUTATHIONEA2IMF0.74
GSHGLUTATHIONEA,B1PX60.74
GSHGLUTATHIONEA,B1MD40.74
GSHGLUTATHIONEA2CZ20.74
GSHGLUTATHIONEA3FZ90.74
GSHGLUTATHIONEA,B,C,D1R4W0.74
GSHGLUTATHIONEA1ZHP0.74
GSHGLUTATHIONEA,B3E730.74
GSHGLUTATHIONEA1VF10.74
GSHGLUTATHIONEA3CRT0.74
GSHGLUTATHIONEA,B,C,D2VCX0.74
GSHGLUTATHIONEA,B,C,D1XW60.74
GSHGLUTATHIONEA3CRU0.74
GSHGLUTATHIONEA,B1B480.74
GSHGLUTATHIONEA2ZK20.74
GSHGLUTATHIONEA,B,C,D1IYH0.74
GSHGLUTATHIONEA,B,C,D1Q8M0.74
GSHGLUTATHIONEA,B,C,D2PBJ0.74
GSHGLUTATHIONEA,B,C,D2VCQ0.74
GSHGLUTATHIONEA1GRA0.74
GSHGLUTATHIONEA,B1QGJ0.74
GSHGLUTATHIONEA2HGS0.74
GSHGLUTATHIONEA,B,C,D2VD10.74
GSHGLUTATHIONEA1ZHM0.74
GSHGLUTATHIONEA,B,C,D2VCZ0.74
GSHGLUTATHIONEC1KCG0.74
GSHGLUTATHIONEA,B1MD30.74
GSHGLUTATHIONEA,B2IO90.74
GSHGLUTATHIONEA,B2JL40.74
GSHGLUTATHIONEA3DK80.74
GSHGLUTATHIONEA3DK40.74
GSHGLUTATHIONEA,B,D2VCW0.74
GSHGLUTATHIONEA,B1XW50.74
GSHGLUTATHIONEA,B3FHS0.74
GSHGLUTATHIONEA,B1Y1A0.74
GSHGLUTATHIONEA1GRE0.74
GSHGLUTATHIONEA,B2HT90.74
GSHGLUTATHIONEA,B1DUG0.74
GSHGLUTATHIONEA,B,C,D2VD00.74
GSHGLUTATHIONEA,B1TYP0.74
GSHGLUTATHIONEA2FLS0.74
GSHGLUTATHIONEA,B1OE80.74
GSHGLUTATHIONEA,B1PX70.74
GSHGLUTATHIONEA3C1S0.74
GSHGLUTATHIONEA,B1F3A0.74
GSHGLUTATHIONEA1FW10.74
GSHGLUTATHIONEA,B2IMI0.74
GSHGLUTATHIONEA,B1LBK0.74
GSHGLUTATHIONEA,B2HQM0.74
GSHGLUTATHIONEA,B1TDI0.74
GSHGLUTATHIONEA,B,C,D1V400.74
GSHGLUTATHIONEA,B,C,D1IYI0.74
GSHGLUTATHIONEA3D0Z0.74
GSHGLUTATHIONEA,B1ZGN0.74
GSHGLUTATHIONEA,B,C,D2CVD0.74
GSHGLUTATHIONEA,B3C8E0.74
GSHGLUTATHIONEA,B,C1YJ60.74
GSHGLUTATHIONEA2IMD0.74
GSHGLUTATHIONEA2IME0.74
GSHGLUTATHIONEA3BHJ0.74
GSHGLUTATHIONEA,B1OE70.74
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.72
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.71
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.71
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.72
SSM(2S)-2-(acetylamino)-N-methyl-4-
[(S)-methylsulfinyl]butanamide
A3BQF0.7