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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03376565

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5DP5-(2,5-dioxopyrrolidin-1-yl)-N-
[2-(2-{2-[(4-O-alpha-D-idopyranosyl-
alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide		A,B,C,D3CIU0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.74
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,B2G5Q0.84
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.74
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.78
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.78
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.77
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.77
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.77
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.77
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.77
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.77
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.77
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,Z2F4V0.88
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		B2F4T0.88
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
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ90.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ40.72
8GPA2F3U0.73
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
AM2APRAMYCINB2OE80.79
AM2APRAMYCINA,B2OE50.79
AM2APRAMYCINA,B1YRJ0.79
AM2APRAMYCINA,B2G5K0.79
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,B2VR50.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.77
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		A2QIR0.77
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.76
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.79
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.79
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.73
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
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		B2F4U0.86