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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03522209

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.89
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.89
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.89
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.72
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.89
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.89
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.89
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.89
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.89
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.75
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.82
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.82
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.89
ANFANTHRONEH2BJM0.71
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.81
2NAnaphthalen-2-ylmethanolA,B,C3EE50.76
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.88
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.88
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.78
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7