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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03905046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.85
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.85
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.77
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.73
AM2APRAMYCINB2OE80.72
AM2APRAMYCINA,B2OE50.72
AM2APRAMYCINA,B1YRJ0.72
AM2APRAMYCINA,B2G5K0.72
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
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
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.74
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,B2VR50.76
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
A2QIR0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.71
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.92
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.92
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.7
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.7
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.76
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.76
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
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.75
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.77
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.74
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
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.82
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.82