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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091089

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
17B(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol		A,B2VR40.75
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.77
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.73
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.83
IMRIMINORIBITOLA,B,C1I800.83
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.89
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.89
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.89
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol		A,B2VQT0.74
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL		A1HWW0.73
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL		A3BLB0.73
CGBCALYSTEGINE B2A,B2CBV0.81
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE		A2ALW0.79
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.83
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2HIL0.73
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A2HI20.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2J750.79
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A2V3G0.79
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2VQU0.79
XIFPIPERIDINE-3,4-DIOLA1V0L0.87
XIFPIPERIDINE-3,4-DIOLA1V0N0.87
XIFPIPERIDINE-3,4-DIOLA1FH80.87
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		A1QD30.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		B1O9M0.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		A1NEM0.7
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.73
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.75
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.75
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL		A,B2V3D0.8
CTSCASTANOSPERMINEA1EQC0.7
CTSCASTANOSPERMINEA,B2JKP0.7
CTSCASTANOSPERMINEA,B,C2VL80.7
CTSCASTANOSPERMINEA,B2CBU0.7
CTSCASTANOSPERMINEA,B2PWG0.7
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL		A2F7Q0.73
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.83
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol		A3DX10.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.83
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.83
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.76
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.76
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.76
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.76
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol		A,B2VL40.79
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol		A3DX30.73
LOX3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-
OXIME		A1FH90.71
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL		A,B2V3E0.78
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.71
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.71
OXZTETRAHYDROOXAZINEA,B1W3J0.75
OXZTETRAHYDROOXAZINEA1W3K0.75
OXZTETRAHYDROOXAZINEA1W3L0.75
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B2J790.77
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B1UWT0.77
CYY2-DEOXYSTREPTAMINEA1QD30.74
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1QD30.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1NEM0.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1PBR0.7
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.95
NOJ1-DEOXYNOJIRIMYCINA,B2J770.95
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.95
NOJ1-DEOXYNOJIRIMYCINA3GBE0.95
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.95
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.95
NOJ1-DEOXYNOJIRIMYCINA1DOG0.95
NOJ1-DEOXYNOJIRIMYCINA,B1I750.95
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.95
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.95
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.95
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.95
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.95
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL		A,B2EAC0.95
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B1UWU0.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A3D510.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U300.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M1E720.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B2J780.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U2Y0.77
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M,N1E6S0.77
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.8
PA2PAROMOMYCIN (RING 2)B1O9M0.75
PA2PAROMOMYCIN (RING 2)A1PBR0.75
NEB2-DEOXY-D-STREPTAMINEA1NEM0.74
AZFAZAFAGOMINEA,B2J7H0.73