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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03922909

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.85
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.85
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.85
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.85
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.85
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.85
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.85
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.77
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.77
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.73
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.73
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.73
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.73
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.7
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.75
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.75
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,Z2F4V0.76
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
B2F4T0.76
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.73
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.78
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A1ZT40.83
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A,C,E2PO60.83
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGI1
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
A1XOG0.78
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.75
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.83
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,B2G5Q0.76
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.77
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGJ0.99
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8G0.88
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.88
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
B2F4U0.78