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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02224162

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
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.85
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.85
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.85
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE
A,B2J790.71
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE
A,B1UWT0.71
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL
A,B2V3E0.71
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVM0.71
2AO(2S)-2-AMINOHEXAN-1-OLA,I2O400.71
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOD0.71
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AVQ0.71
2AO(2S)-2-AMINOHEXAN-1-OLA,B,C2AOC0.71
XIFPIPERIDINE-3,4-DIOLA1V0L0.83
XIFPIPERIDINE-3,4-DIOLA1V0N0.83
XIFPIPERIDINE-3,4-DIOLA1FH80.83
PA2PAROMOMYCIN (RING 2)B1O9M0.71
PA2PAROMOMYCIN (RING 2)A1PBR0.71
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.7
CPI6-CARBOXYPIPERIDINEB1EOL0.7
CPI6-CARBOXYPIPERIDINEB1EOJ0.7
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
CPI6-CARBOXYPIPERIDINEA,B2ITK0.7
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.7
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.88
NOJ1-DEOXYNOJIRIMYCINA,B2J770.88
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.88
NOJ1-DEOXYNOJIRIMYCINA3GBE0.88
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.88
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.88
NOJ1-DEOXYNOJIRIMYCINA1DOG0.88
NOJ1-DEOXYNOJIRIMYCINA,B1I750.88
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.88
EMP2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-
METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
A2PIK0.74
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.88
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.88
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.88
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.88
MAT2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-
3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
A,B1PIK0.74
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A,B1UWU0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A3D510.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A1U300.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
M1E720.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A,B2J780.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
A1U2Y0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL
M,N1E6S0.71
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.73
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.76
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.73
IMRIMINORIBITOLA,B,C1I800.76
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP
A,D1F6O0.71
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP
D1BNK0.71
NEB2-DEOXY-D-STREPTAMINEA1NEM0.7
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.77
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.77
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.77
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.71
XDLXYLOSE-DERIVED ISOFAGOMINE LACTAMA1OD80.71
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
CYY2-DEOXYSTREPTAMINEA1QD30.7
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.73
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.77
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL
A,B2V3D0.74
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.91
CGBCALYSTEGINE B2A,B2CBV0.75