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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089815

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGJ0.77
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.78
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.75
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.72
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.79
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8G0.77
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.77
AKN(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-
5-AMINO-2-[(3-AMINO-3-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-4-[(6-AMINO-
6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE
A,B2G5Q0.7
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.71
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,D3DCQ0.71
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.76
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.76
8GPA2F3U0.72
AB6(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-
5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-
AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-
2-HYDROXYBUTANAMIDE
B2F4U0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.8
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.8
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.8
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.8
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.74
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
A1XOG0.75
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.8
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE
A,D,M,N,Z2F4V0.7
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE
B2F4T0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.79
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.79
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.79
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.79
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.79
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.79
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.79