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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02335002

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
RSOR-STYRENE OXIDEA,B1PWZ0.72
SS11-PHENYLETHANOLH1UM50.74
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.73
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.72
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.73
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.71
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
B69A2ZCR0.73
BFLA,B1Q4G0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.74
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.74
SS2(1R)-1-PHENYLETHANOLA1ZJY0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7