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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209133

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KIFKIFUNENSINEA1FO30.7
KIFKIFUNENSINEA1PS30.7
KIFKIFUNENSINEA,B1KRF0.7
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL
A,B2V3D0.71
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A1HWW0.84
SWA1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-
TRIOL
A3BLB0.84
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.71
CGBCALYSTEGINE B2A,B2CBV0.79
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.71
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.71
CTSCASTANOSPERMINEA1EQC0.86
CTSCASTANOSPERMINEA,B2JKP0.86
CTSCASTANOSPERMINEA,B,C2VL80.86
CTSCASTANOSPERMINEA,B2CBU0.86
CTSCASTANOSPERMINEA,B2PWG0.86
NCW(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-
N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-
8-carbothioamide
A,B2VRJ0.7
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.73
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,D2WC30.72
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.75
NOJ1-DEOXYNOJIRIMYCINA,B2J770.75
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.75
NOJ1-DEOXYNOJIRIMYCINA3GBE0.75
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.75
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.75
NOJ1-DEOXYNOJIRIMYCINA1DOG0.75
NOJ1-DEOXYNOJIRIMYCINA,B1I750.75
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.75
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.75
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.75
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.75
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.75
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL
A,B2V3E0.74
IMRIMINORIBITOLA,B,C1I800.7
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.7
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,D2WBG0.72