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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02295119

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.78
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.78
B08A,B2E990.78
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
B28A,B2E9A0.77
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
341(3,5-difluorophenyl)methanolC3EON0.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.79
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
B76A,B2E9D0.71