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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01872231

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E1EZV0.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1P840.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E2IBZ0.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1KB90.75
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.72
2682-phenoxyethanolA2RBR0.78
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM		A1HYZ0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.73
HMK(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMENE-3,6A(12AH)-DIOL		A1ZGA0.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ10.72
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.79
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol		A,B3DT30.7
P1S(6AR,12AR)-3-(HYDROXYMETHYL)-6H-
[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMEN-6A(12AH)-OL		A1ZGJ0.73
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.78
SXXSINAPINATEA,B1WB40.74
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.87
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Q700.71
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Z4B0.71
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.72
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
TCLTRICLOSANA,B,C,D2PD30.72
TCLTRICLOSANA,B1P450.72
TCLTRICLOSANA,B,C,D,E,F2B350.72
TCLTRICLOSANA,B1D8A0.72
TCLTRICLOSANA,B1C140.72
TCLTRICLOSANA,B,C,D2QIO0.72
TCLTRICLOSANA,B1NHG0.72
TCLTRICLOSANA1D7O0.72
TCLTRICLOSANA,B,C,D2O2Y0.72
TCLTRICLOSANA,B1UH50.72
TCLTRICLOSANA,B2O2S0.72
TCLTRICLOSANA,B,C,D1QG60.72
TCLTRICLOSANA,B,C,D,E,F,
G,H		1QSG0.72
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.74
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.72
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.72
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.72
RCORESORCINOLA,B,C,D,E,F2OMH0.72
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.72
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.72
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.72
2612-ethoxyphenolX2RB10.83
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.78
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L		1TI60.75
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLF0.75
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol		A,B2QTU0.72
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
DCNDICLOSANA,B,C,D2PD40.76
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.7
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.74
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.74
258(2-chloroethoxy)benzeneX2RAY0.71