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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540804

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.89
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.89
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.77
ANFANTHRONEH2BJM0.77
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.84
B28A,B2E9A0.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.89
1NP1-NAPHTHOLX2ZVQ0.71
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.78
PEYPHENANTHRENEA,B2HML0.74
PEYPHENANTHRENEA,B2HMK0.74
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.77
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.77
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
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.87
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
B08A,B2E990.76
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.79
SS11-PHENYLETHANOLH1UM50.71
AN3ANTHRACENEA,B2HMN0.74
AN3ANTHRACENEA,B2HMM0.74
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.74
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.87
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C1
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.87
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.87
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.87
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.87
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.87