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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02494712

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
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.76
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid		A,B2E4Y0.71
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.71
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H		1NJT0.71
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.71
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.71
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.71
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
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.73
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,C1YM40.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.77
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,B1XE60.74
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.71
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE		A,B3BPM0.71
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.72
TS5GLUTATHIONYLSPERMIDINEA1I5G0.71
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.7
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.8
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide		A,B3H1P0.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.7
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.7
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.81
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.81
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.81
1691-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-
1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-
4-OXO-AZETIDINE-2-CARBOXYLIC ACID		A1RXP0.71
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.72
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.74
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.72
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1GH00.73
MENN-METHYL ASPARAGINEA,B,C,D1XF60.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M		1B330.73
MENN-METHYL ASPARAGINEA,B1I7Y0.73
MENN-METHYL ASPARAGINEA,B3BRP0.73
MENN-METHYL ASPARAGINEA,B1JBO0.73
MENN-METHYL ASPARAGINEA,B1ALL0.73
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1HA70.73
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.73
MENN-METHYL ASPARAGINEA,B1KTP0.73
MENN-METHYL ASPARAGINEA,B1PHN0.73
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.73
MENN-METHYL ASPARAGINEA,B,C,D1XG00.73
MENN-METHYL ASPARAGINEA,B2VJT0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P		2BV80.73
MENN-METHYL ASPARAGINEA,B2V8A0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H		3DBJ0.73
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3EDZ0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3EWJ0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B2DDF0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B,C,D2I470.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,C,E,I1BKC0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B2FV90.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3E8R0.73
5FE5,5,5-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 METHYL ESTER		A,B1XE50.73
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.74
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.72
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.72
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2EEP0.71
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2Z3Z0.71
L2A(2S,5S,8S,11S,15E,20S)-20-amino-
2-(carboxymethyl)-11,20-dimethyl-
5,8-bis(2-methylpropyl)-3,6,9,21-
tetraoxo-1,4,7,10-tetraazacyclohenicos-
15-ene-11-carboxylic acid		B2K1C0.76
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.8
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.71
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.7
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.79
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.73
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.73
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.75
NSKN-SUCCINYL LYSINEA2P8B0.79
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72