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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007022

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
STLRESVERATROLA,B3CKL0.82
STLRESVERATROLA,B,C,D1U0W0.82
STLRESVERATROLA1CGZ0.82
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.82
STLRESVERATROLA1Z1F0.82
STLRESVERATROLA1DVS0.82
STLRESVERATROLA,B1SG00.82
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.82
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
MBD3-METHYLCATECHOLA1KNF0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
3CH3-CHLOROPHENOLA1LI30.79
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.99
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.99
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.99
RCORESORCINOLA,B,C,D,E,F2OMH0.99
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.99
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.99
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.99
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.99
2CH2-CHLOROPHENOLA1WBO0.77
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.77
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
FP22-fluorophenolA3CPO0.86
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
2MP3,4-DIMETHYLPHENOLA1L5O0.74
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
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,D1Y0G0.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.78
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
IPHPHENOLA,B2OLD0.89
IPHPHENOLA,B,C,D2PZV0.89
IPHPHENOLA1LI20.89
IPHPHENOLA2J9N0.89
IPHPHENOLA,B,C,D2OMB0.89
IPHPHENOLA1JHX0.89
IPHPHENOLA,B,C,D2VE70.89
IPHPHENOLB,D,E,G,H,J,L1AI00.89
IPHPHENOLA,B,C,D1FOH0.89
IPHPHENOLA1V030.89
IPHPHENOLA,C,E,G,I,K5AIY0.89
IPHPHENOLB,D,F,H,J,L1AIY0.89
IPHPHENOLA,B1XU50.89
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.89
IPHPHENOLA,C,E,G,I,K4AIY0.89
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.89
IPHPHENOLA2AS30.89
IPHPHENOLA,B,C,D1ZEG0.89
IPHPHENOLA,B,C,D1PN00.89
IPHPHENOLA,B,C,D1XW70.89
IPHPHENOLA,C,E,G,I,K,M1QIY0.89
IPHPHENOLA,B,C,D1Q4V0.89
IPHPHENOLB1AI70.89
IPHPHENOLA1FJW0.89
IPHPHENOLB,C,D1RWE0.89
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.89
IPHPHENOLB,C,D3GKY0.89
IPHPHENOLA1JHY0.89
IPHPHENOLA,C,E,G,I,K3AIY0.89
IPHPHENOLA,B2OMN0.89
IPHPHENOLA,C,E,G,I,K2AIY0.89
IPHPHENOLA,B,D1MPJ0.89
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.89
IPHPHENOLB,C,D1LPH0.89
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
FPN4-FLUOROPHENOLA,B1XVD0.86
ETY4-ethylphenolA,B,C,D2RA60.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.75
FFP2,6-DIFLUOROPHENOLA2INX0.84
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
HTS2-MERCAPTOPHENOLA2OSM0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.87
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.77
IOL4-IODOPHENOLA,B1EWA0.86
2LP2-ALLYLPHENOLA1OV50.77
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.89
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.89
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.93
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.93
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.8