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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463491

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLGN-ACETYL-L-GLUTAMATEA1OH90.72
NLGN-ACETYL-L-GLUTAMATEA1OHA0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.72
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.72
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.72
NLGN-ACETYL-L-GLUTAMATEA3B8G0.72
NLGN-ACETYL-L-GLUTAMATEA1GS50.72
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.73
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.73
NSKN-SUCCINYL LYSINEA2P8B0.74
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.73
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.74
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.74
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.73
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.73
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.8
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
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID
A,B,C1YM40.72
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.71
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.7
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.7
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
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.75
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.73
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.73
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.71
DI63-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-
YL]PROPANOIC ACID
A2Q090.73
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.72
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.71
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.71
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.71
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.71
GTSGLUTATHIONE SULFONIC ACIDA1M990.71
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.71
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.71
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
TS22-AMINO-4-[4-(4-AMINO-4-CARBOXY-
BUTYRYLAMINO)-5,8,19,22-TETRAOXO-
1,2-DITHIA-6,9,13,18,21-PENTAAZA-
CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
A3GRT0.72
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
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
GGAD-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-
AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-
D-ALANINAMIDE
A,B2IOA0.72
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.75
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.71
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.7
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.71
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.71
TS5GLUTATHIONYLSPERMIDINEA1I5G0.74
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.89
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid
A,B2E4Y0.73
MEQN5-METHYLGLUTAMINEA,B1NV80.74
ODA9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-
A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
D1D5Z0.7
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.72
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.73
GTXS-HEXYLGLUTATHIONEA,B1AGS0.73
GTXS-HEXYLGLUTATHIONEA,B1PN90.73
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.73
GTXS-HEXYLGLUTATHIONEA,B2IMK0.73
GTXS-HEXYLGLUTATHIONEA,B4GSS0.73
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.73
GTXS-HEXYLGLUTATHIONEA,B2GLR0.73
GTXS-HEXYLGLUTATHIONEA,B2OA70.73
GTXS-HEXYLGLUTATHIONEA,C2AAW0.73
GTXS-HEXYLGLUTATHIONEA,B1VF20.73
GTXS-HEXYLGLUTATHIONEA1M9A0.73
GTXS-HEXYLGLUTATHIONEA,B17GS0.73
GTXS-HEXYLGLUTATHIONEA,B1K0A0.73
GTXS-HEXYLGLUTATHIONEA,B2R3X0.73
GTXS-HEXYLGLUTATHIONEA,B1GSU0.73
GTXS-HEXYLGLUTATHIONEA,B2C800.73
GTXS-HEXYLGLUTATHIONEA,B2R6K0.73
GTXS-HEXYLGLUTATHIONEA,B1PGT0.73
GTXS-HEXYLGLUTATHIONEA,B2J9H0.73
GTXS-HEXYLGLUTATHIONEA,B1K3L0.73
GTXS-HEXYLGLUTATHIONEA,B1GNW0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.73
GTXS-HEXYLGLUTATHIONEA,B1YDK0.73
GTXS-HEXYLGLUTATHIONEA,B9GSS0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.77
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.77