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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02497543

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3CUCASUARINEA,B,C,D2JJB0.73
3CUCASUARINEA3CTT0.73
CTSCASTANOSPERMINEA1EQC0.84
CTSCASTANOSPERMINEA,B2JKP0.84
CTSCASTANOSPERMINEA,B,C2VL80.84
CTSCASTANOSPERMINEA,B2CBU0.84
CTSCASTANOSPERMINEA,B2PWG0.84
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.72
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.83
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.83
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.83
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.83
CGBCALYSTEGINE B2A,B2CBV0.76
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.83
NOJ1-DEOXYNOJIRIMYCINA,B2J770.83
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.83
NOJ1-DEOXYNOJIRIMYCINA3GBE0.83
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.83
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.83
NOJ1-DEOXYNOJIRIMYCINA1DOG0.83
NOJ1-DEOXYNOJIRIMYCINA,B1I750.83
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.83
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.78
LGS(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-
a]pyridine-5,6,7,8-tetrol
A,B,C,D2WBG0.71
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VQT0.7
GHAA1TQU0.74
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.76
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL
A,B2V3D0.97
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL
A,B2V3E0.97
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.71
AM3(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-
a]pyridine-5,6,7,8-tetrol
A,B,C,D2WC30.71
17B(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VR40.71
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A1HWW0.79
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A3BLB0.79
PTOPSEUDOTROPINEA,B2AE20.73
HG91-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOLA,B,C,D1SO20.7