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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.75
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.75
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.71
PYCPYRROLE-2-CARBOXYLATEA1W620.77
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.77
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.77
PYCPYRROLE-2-CARBOXYLATEA,B1W610.77
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.77
2823-methoxypyridineX2RBZ0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.77
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.77
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.71
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.71
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.7
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.7
NTMQUINOLINIC ACIDA3C2O0.7
NTMQUINOLINIC ACIDA,B1QAP0.7
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.7
NTMQUINOLINIC ACIDA,B,C2B7N0.7
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.71
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YIT0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.71