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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03830389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.75
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.76
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide		A,B3BVA0.73
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.74
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.74
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE		A2DC80.71
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,B1XE50.8
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.71
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
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.75
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.84
CYVETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-
BUTOXYCARBONYL)-L-SERYL]AMINO}-
6-METHYL-2-(3-METHYLBUT-2-EN-1-
YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-
2-OXOPYRROLIDIN-3-YL]PENTANOATE		A2QIQ0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.72
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.72
SLA(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline		H,K,V,Y3DY40.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.76
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,C3DV10.71
52A(2R,4R)-4-aminopyrrolidine-2,4-
dicarboxylic acid		A,B2E4Y0.7
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.7
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.76
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.75
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine		A,B3DPM0.73
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE		U1W100.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.74
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		A3EMY0.78
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		A2H6T0.78
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,B1LS50.78
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,B1SME0.78
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,C1W6I0.78
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,B1XDH0.78
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,B2QZX0.78
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		A1IZE0.78
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,B1M430.78
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.77
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate		B1SP40.83
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,B1XE60.79
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide		A,B3H1P0.75
SLR(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline		K,Y3DY30.72
BB2ACTINONINA,B,C,D3G5K0.74
BB2ACTINONINA,B,C1LRU0.74
BB2ACTINONINA,B2OKL0.74
BB2ACTINONINA2OS10.74
BB2ACTINONINA,B,C1G2A0.74
BB2ACTINONINA1Q1Y0.74
BB2ACTINONINA,B,C,D,E,F,
G,H		1SZZ0.74
BB2ACTINONINA1LQY0.74
BB2ACTINONINA2OS30.74
BB2ACTINONINA1LRY0.74
BB2ACTINONINA,B1IX10.74
BB2ACTINONINA1WS10.74
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.79
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE		A,B3BPM0.73
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC90.78