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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01082450

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPHPHENOLA,B2OLD0.91
IPHPHENOLA,B,C,D2PZV0.91
IPHPHENOLA1LI20.91
IPHPHENOLA2J9N0.91
IPHPHENOLA,B,C,D2OMB0.91
IPHPHENOLA1JHX0.91
IPHPHENOLA,B,C,D2VE70.91
IPHPHENOLB,D,E,G,H,J,L1AI00.91
IPHPHENOLA,B,C,D1FOH0.91
IPHPHENOLA1V030.91
IPHPHENOLA,C,E,G,I,K5AIY0.91
IPHPHENOLB,D,F,H,J,L1AIY0.91
IPHPHENOLA,B1XU50.91
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.91
IPHPHENOLA,C,E,G,I,K4AIY0.91
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.91
IPHPHENOLA2AS30.91
IPHPHENOLA,B,C,D1ZEG0.91
IPHPHENOLA,B,C,D1PN00.91
IPHPHENOLA,B,C,D1XW70.91
IPHPHENOLA,C,E,G,I,K,M1QIY0.91
IPHPHENOLA,B,C,D1Q4V0.91
IPHPHENOLB1AI70.91
IPHPHENOLA1FJW0.91
IPHPHENOLB,C,D1RWE0.91
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.91
IPHPHENOLB,C,D3GKY0.91
IPHPHENOLA1JHY0.91
IPHPHENOLA,C,E,G,I,K3AIY0.91
IPHPHENOLA,B2OMN0.91
IPHPHENOLA,C,E,G,I,K2AIY0.91
IPHPHENOLA,B,D1MPJ0.91
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.91
IPHPHENOLB,C,D1LPH0.91
2682-phenoxyethanolA2RBR0.7
FPN4-FLUOROPHENOLA,B1XVD0.87
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.8
2CH2-CHLOROPHENOLA1WBO0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.83
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
PSYphenyl ethenesulfonateA3BM80.74
PSYphenyl ethenesulfonateA3BLT0.74
MBD3-METHYLCATECHOLA1KNF0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
2612-ethoxyphenolX2RB10.7
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.7
BML4-BROMOPHENOLA,B,E3DHH0.8
BML4-BROMOPHENOLA,B1XU30.8
BML4-BROMOPHENOLA,B1T0S0.8
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.77
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.8
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.8
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.74
PCRP-CRESOLA1JHV0.8
PCRP-CRESOLA1JHU0.8
PCRP-CRESOLA,B,C,D1DIQ0.8
3CH3-CHLOROPHENOLA1LI30.8
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.91
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.72
IOL4-IODOPHENOLA,B1EWA0.87
TBP2,4,6-TRIBROMOPHENOLL1E5A0.74
HTS2-MERCAPTOPHENOLA2OSM0.81
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
ETY4-ethylphenolA,B,C,D2RA60.78
FFP2,6-DIFLUOROPHENOLA2INX0.85
FP22-fluorophenolA3CPO0.87
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.85
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.85
RCORESORCINOLA,B,C,D,E,F2OMH0.85
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.85
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.85
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.85
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.8
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.8
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.76
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
2LP2-ALLYLPHENOLA1OV50.78
CAQCATECHOLB2BUY0.86
CAQCATECHOLA1KND0.86
CAQCATECHOLB2BUQ0.86
CAQCATECHOLA,B1DLT0.86
CAQCATECHOLA1XEP0.86
CAQCATECHOLA2PUM0.86
CRSM-CRESOLA,B,C,D1EV30.79
CRSM-CRESOLA,B,C,D,E,F2OMG0.79
CRSM-CRESOLA,B1UZ90.79
CRSM-CRESOLA,B,C,D1ZEH0.79
CRSM-CRESOLA,B,C,D,E,F1ZEI0.79
CRSM-CRESOLA,C,D,E7INS0.79
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.79
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.73
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.74
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.74
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.77