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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03216031

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.73
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.73
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.73
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.73
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M		3EFX0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W		2O2L0.7
C6LN-hexanoyl-L-homoserineA3DHA0.71
C6LN-hexanoyl-L-homoserineA3DHB0.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.73
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.73
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1INW0.72
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1DIL0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.89
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.89
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.89
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.89
GM2N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE		A1GZP0.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.74
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.74
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.74
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIM0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INX0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INY0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIL0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INV0.72
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.76
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C,D,E,F2J0G0.7
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C2ORJ0.7
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.73
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.73
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.73
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.74
GM3N-{1-[(HEXOPYRANOSYLOXY)METHYL]-
2-HYDROXYNONADECYL}TETRACOSANAMIDE		A2BV70.72
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.84
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.83