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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03806853

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.73
ANFANTHRONEH2BJM0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.7
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.74
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.74
VACN,N-BIS(2-HYDROXY-1-INDANYL)-2,6-
DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
B4PHV0.7
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.74
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.72
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.72
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,B1HVR0.73
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.74
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,E2W8G0.77
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.8
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.76
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
B1BVG0.74
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
B1MES0.74
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
A1MET0.74
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,B1QBS0.74
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
B1BVE0.74
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
A1MEU0.74
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.76
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.76
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.76
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.76
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}
B1HVH0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.8
S06(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRP0.71