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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319990

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.75
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.77
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.7
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.73
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.78
BS2(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-
DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
A,D,E2W8G0.71
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE
A1HJ10.71
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1BVG0.76
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1MES0.76
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A1MET0.76
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A,B1QBS0.76
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
B1BVE0.76
DMP[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
A1MEU0.76
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.77
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.77
ANFANTHRONEH2BJM0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.7
XK2[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-
HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-
NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-
2H-1,3-DIAZEPIN-2-ONE
A,B1HVR0.74
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.71
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.77
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.77
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.77
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.77
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.77
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.77
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.77
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.77
216[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-
5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-
BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
B1HWR0.72
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.82
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.72
Q82{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
1,3-BIS(4-HYDROXYMETHYL)METHYL]-
4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-
2-YLIDENE]CYANAMIDE}
B1HVH0.74
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.75
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.75
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.76
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.82
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
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7