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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02435422

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTOPSEUDOTROPINEA,B2AE20.81
CTSCASTANOSPERMINEA1EQC0.75
CTSCASTANOSPERMINEA,B2JKP0.75
CTSCASTANOSPERMINEA,B,C2VL80.75
CTSCASTANOSPERMINEA,B2CBU0.75
CTSCASTANOSPERMINEA,B2PWG0.75
XIFPIPERIDINE-3,4-DIOLA1V0L0.71
XIFPIPERIDINE-3,4-DIOLA1V0N0.71
XIFPIPERIDINE-3,4-DIOLA1FH80.71
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A1HWW0.78
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A3BLB0.78
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.73
NOJ1-DEOXYNOJIRIMYCINA,B2J770.73
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.73
NOJ1-DEOXYNOJIRIMYCINA3GBE0.73
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.73
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.73
NOJ1-DEOXYNOJIRIMYCINA1DOG0.73
NOJ1-DEOXYNOJIRIMYCINA,B1I750.73
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.73
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.73
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.73
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.73
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.73
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL
A,B2V3D0.86
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL
A,B2V3E0.86
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.78