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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727648

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.77
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M		3EFX0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W		2O2L0.72
ACRACARBOSEA1MXD0.71
ACRACARBOSEA,B2ZQ00.71
ACRACARBOSEA2F6D0.71
ACRACARBOSEA,X2QMJ0.71
ACRACARBOSEA2OWC0.71
ACRACARBOSEA2OWW0.71
ACRACARBOSEA1GAH0.71
ACRACARBOSEA,B1K1Y0.71
ACRACARBOSEA,B1DED0.71
ACRACARBOSEA1ESW0.71
ACRACARBOSEA1AGM0.71
ACRACARBOSEA1MXG0.71
ACRACARBOSEA,B1LF90.71
ACRACARBOSEA,B2ECP0.71
ACRACARBOSEA1KXH0.71
ACRACARBOSEA1ULV0.71
ACRACARBOSEA3BC90.71
AM2APRAMYCINB2OE80.89
AM2APRAMYCINA,B2OE50.89
AM2APRAMYCINA,B1YRJ0.89
AM2APRAMYCINA,B2G5K0.89
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A3CUF0.78
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A,B2OYK0.78
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.71
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.7
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.7
3SAACARBOSE DERIVED TRISACCHARIDEA1XCW0.73
AO3ALLOSAMIDINA1X6N0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.8
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.8
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7Y0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7X0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R810.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7V0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R800.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ90.78
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ40.78
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		A2QIR0.85
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,B2VR50.89
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R820.74
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,Z2F4V0.75
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		B2F4T0.75
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		B2F4U0.77
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.79
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.71
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,B2G5Q0.79