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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02342830

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXZTETRAHYDROOXAZINEA,B1W3J0.83
OXZTETRAHYDROOXAZINEA1W3K0.83
OXZTETRAHYDROOXAZINEA1W3L0.83
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.76
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.76
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.76
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.76
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.76
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.76
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.75
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.71
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.78
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.77
PA2PAROMOMYCIN (RING 2)B1O9M0.71
PA2PAROMOMYCIN (RING 2)A1PBR0.71
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.7
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.7
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.74
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.76
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.75
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.75
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.72
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.72
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.72
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.73
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.78
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.76
NEB2-DEOXY-D-STREPTAMINEA1NEM0.7
AZFAZAFAGOMINEA,B2J7H0.72
PA1PAROMOMYCIN (RING 1)A1PBR0.76
PA1PAROMOMYCIN (RING 1)A1QKC0.76
PA1PAROMOMYCIN (RING 1)A1QFG0.76
PA1PAROMOMYCIN (RING 1)A1FI10.76
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.76
PA1PAROMOMYCIN (RING 1)A1QFF0.76
GCSD-GLUCOSAMINEA3CO40.76
GCSD-GLUCOSAMINEA1QGI0.76
GCSD-GLUCOSAMINEA,B2VZS0.76
GCSD-GLUCOSAMINEA1E9L0.76
GCSD-GLUCOSAMINEA,B,C,D3FXI0.76
GCSD-GLUCOSAMINEA,B2VZV0.76
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.73
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.81
CYY2-DEOXYSTREPTAMINEA1QD30.7
XIFPIPERIDINE-3,4-DIOLA1V0L0.7
XIFPIPERIDINE-3,4-DIOLA1V0N0.7
XIFPIPERIDINE-3,4-DIOLA1FH80.7
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.78
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.73
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.72
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.73
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.78
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.75