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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02455487

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9CS(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-
[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-
2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE
A2QIR0.82
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.75
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.75
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.75
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.75
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.75
AM2APRAMYCINB2OE80.72
AM2APRAMYCINA,B2OE50.72
AM2APRAMYCINA,B1YRJ0.72
AM2APRAMYCINA,B2G5K0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.94
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.94
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8G0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.73
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.7
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.81
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.73
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.73
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.72
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.71
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.81
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.81
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.71
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
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.76
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.81
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.81
A164-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-
2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-
alpha-D-glucopyranosyl)-beta-D-
glucopyranose
A,B2VR50.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.86
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.71
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.97
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.89
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.89