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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02338109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.7
BB2ACTINONINA,B,C,D3G5K0.71
BB2ACTINONINA,B,C1LRU0.71
BB2ACTINONINA,B2OKL0.71
BB2ACTINONINA2OS10.71
BB2ACTINONINA,B,C1G2A0.71
BB2ACTINONINA1Q1Y0.71
BB2ACTINONINA,B,C,D,E,F,
G,H
1SZZ0.71
BB2ACTINONINA1LQY0.71
BB2ACTINONINA2OS30.71
BB2ACTINONINA1LRY0.71
BB2ACTINONINA,B1IX10.71
BB2ACTINONINA1WS10.71
OCQ(3S)-3-[(2S)-2-AMINO-4-HYDROXY-
3-OXOBUTYL]PYRROLIDIN-2-ONE
A,I2Z3D0.71
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1GNO0.71
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1A9M0.71
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1AXA0.71
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNM0.71
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNN0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.71
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL
A,B2JGQ0.71
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.74
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,C3DV10.8
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B3HY70.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B2JIH0.73
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A1R550.73
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
A3EMY0.71
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
A2H6T0.71
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,B1LS50.71
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,B1SME0.71
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,C1W6I0.71
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,B1XDH0.71
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,B2QZX0.71
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
A1IZE0.71
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,B1M430.71
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.72
AHS(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-ISOBUTYL-CARBAMIC ACID
I5ER20.78
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide
2,H,K,N,V,Y3D290.74
ECQ(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3D0.75
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL
B1Y010.72