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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727216

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.73
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
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
A2QWJ0.71
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
A2QWG0.71
LY5(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-
4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-
3-carboxylic acid
A,B,C,D2QS40.7
S80N1-HYDROXY-2-(3-HYDROXY-PROPYL)-
3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-
2-OXO-AZEPAN-3-YL]-SUCCINAMIDE
A,B1BIW0.71
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,C3DV10.76
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate
B1SP40.73
CLYCLINDAMYCIN0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
1YJN0.71
CLYCLINDAMYCINA1JZX0.71
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.71
BB2ACTINONINA,B,C,D3G5K0.77
BB2ACTINONINA,B,C1LRU0.77
BB2ACTINONINA,B2OKL0.77
BB2ACTINONINA2OS10.77
BB2ACTINONINA,B,C1G2A0.77
BB2ACTINONINA1Q1Y0.77
BB2ACTINONINA,B,C,D,E,F,
G,H
1SZZ0.77
BB2ACTINONINA1LQY0.77
BB2ACTINONINA2OS30.77
BB2ACTINONINA1LRY0.77
BB2ACTINONINA,B1IX10.77
BB2ACTINONINA1WS10.77
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid
A2K620.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.73
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.79
2G0(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-
3,4,5-trihydroxy-6-methyltetrahydro-
2H-pyran-2-yl]acetyl}amino)hexanoyl]-
N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-
2-carboxamide
A,B,C,D3DCQ0.72
RPH6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDEH,I1A2C0.72
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC90.7
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.79
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.79
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.71