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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006563

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.71
FP22-fluorophenolA3CPO0.72
SXXSINAPINATEA,B1WB40.72
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.82
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.82
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.82
RCORESORCINOLA,B,C,D,E,F2OMH0.82
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.82
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.82
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.82
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol		A,B3DT30.7
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.74
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.72
DCNDICLOSANA,B,C,D2PD40.77
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.74
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.81
IPHPHENOLA,B2OLD0.74
IPHPHENOLA,B,C,D2PZV0.74
IPHPHENOLA1LI20.74
IPHPHENOLA2J9N0.74
IPHPHENOLA,B,C,D2OMB0.74
IPHPHENOLA1JHX0.74
IPHPHENOLA,B,C,D2VE70.74
IPHPHENOLB,D,E,G,H,J,L1AI00.74
IPHPHENOLA,B,C,D1FOH0.74
IPHPHENOLA1V030.74
IPHPHENOLA,C,E,G,I,K5AIY0.74
IPHPHENOLB,D,F,H,J,L1AIY0.74
IPHPHENOLA,B1XU50.74
IPHPHENOLA,B,C,D,E,G,
I,K		1W8P0.74
IPHPHENOLA,C,E,G,I,K4AIY0.74
IPHPHENOLA,B,C,D,E,F,
G,H		1XDA0.74
IPHPHENOLA2AS30.74
IPHPHENOLA,B,C,D1ZEG0.74
IPHPHENOLA,B,C,D1PN00.74
IPHPHENOLA,B,C,D1XW70.74
IPHPHENOLA,C,E,G,I,K,M1QIY0.74
IPHPHENOLA,B,C,D1Q4V0.74
IPHPHENOLB1AI70.74
IPHPHENOLA1FJW0.74
IPHPHENOLB,C,D1RWE0.74
IPHPHENOLA,B,C,D,E,G,
H,I,K		1ZNJ0.74
IPHPHENOLB,C,D3GKY0.74
IPHPHENOLA1JHY0.74
IPHPHENOLA,C,E,G,I,K3AIY0.74
IPHPHENOLA,B2OMN0.74
IPHPHENOLA,C,E,G,I,K2AIY0.74
IPHPHENOLA,B,D1MPJ0.74
IPHPHENOLA,B,C,D,F,G,
H,J		1WAV0.74
IPHPHENOLB,C,D1LPH0.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.72
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ10.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.73
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.77
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.72
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.71
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.7
2682-phenoxyethanolA2RBR0.81
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM		A1HYZ0.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.78
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.73
FPN4-FLUOROPHENOLA,B1XVD0.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.75
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
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.7
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.77
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.77
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.75
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.74
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.73
IOL4-IODOPHENOLA,B1EWA0.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.72
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
STLRESVERATROLA,B3CKL0.78
STLRESVERATROLA,B,C,D1U0W0.78
STLRESVERATROLA1CGZ0.78
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JIZ0.78
STLRESVERATROLA1Z1F0.78
STLRESVERATROLA1DVS0.78
STLRESVERATROLA,B1SG00.78
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L		1TI60.73
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLF0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74
258(2-chloroethoxy)benzeneX2RAY0.76
2612-ethoxyphenolX2RB10.8
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74