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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03693169

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,B1K090.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.7
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.72
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,C3DV10.83
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.83
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,C1YM40.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.77
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.77
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.77
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE		A,B,C1G270.72
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
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE		H,I,J,K,L,M,N1J2Q0.76
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		A3EMY0.77
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		A2H6T0.77
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,B1LS50.77
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,B1SME0.77
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,C1W6I0.77
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,B1XDH0.77
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,B2QZX0.77
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		A1IZE0.77
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,B1M430.77
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide		A,B,C3DUY0.76
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE		B1GNO0.7
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE		B1A9M0.7
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE		A1AXA0.7
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE		A1GNM0.7
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE		A1GNN0.7
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.78
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE		A,B3BPM0.72
ECQ(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-
2-ONE		A,I2Z3D0.73
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.87
EPXEPOXOMICIND,F,G,H,I,K,
L,N,Y		1G650.72
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.83
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.71
S80N1-HYDROXY-2-(3-HYDROXY-PROPYL)-
3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-
2-OXO-AZEPAN-3-YL]-SUCCINAMIDE		A,B1BIW0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.76
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
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
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.74