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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007189

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFP2,6-DIFLUOROPHENOLA2INX0.97
FPN4-FLUOROPHENOLA,B1XVD0.94
FP22-fluorophenolA3CPO0.94
IPHPHENOLA,B2OLD0.9
IPHPHENOLA,B,C,D2PZV0.9
IPHPHENOLA1LI20.9
IPHPHENOLA2J9N0.9
IPHPHENOLA,B,C,D2OMB0.9
IPHPHENOLA1JHX0.9
IPHPHENOLA,B,C,D2VE70.9
IPHPHENOLB,D,E,G,H,J,L1AI00.9
IPHPHENOLA,B,C,D1FOH0.9
IPHPHENOLA1V030.9
IPHPHENOLA,C,E,G,I,K5AIY0.9
IPHPHENOLB,D,F,H,J,L1AIY0.9
IPHPHENOLA,B1XU50.9
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.9
IPHPHENOLA,C,E,G,I,K4AIY0.9
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.9
IPHPHENOLA2AS30.9
IPHPHENOLA,B,C,D1ZEG0.9
IPHPHENOLA,B,C,D1PN00.9
IPHPHENOLA,B,C,D1XW70.9
IPHPHENOLA,C,E,G,I,K,M1QIY0.9
IPHPHENOLA,B,C,D1Q4V0.9
IPHPHENOLB1AI70.9
IPHPHENOLA1FJW0.9
IPHPHENOLB,C,D1RWE0.9
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.9
IPHPHENOLB,C,D3GKY0.9
IPHPHENOLA1JHY0.9
IPHPHENOLA,C,E,G,I,K3AIY0.9
IPHPHENOLA,B2OMN0.9
IPHPHENOLA,C,E,G,I,K2AIY0.9
IPHPHENOLA,B,D1MPJ0.9
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.9
IPHPHENOLB,C,D1LPH0.9
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.87
IOL4-IODOPHENOLA,B1EWA0.87
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.84
CAQCATECHOLB2BUY0.83
CAQCATECHOLA1KND0.83
CAQCATECHOLB2BUQ0.83
CAQCATECHOLA,B1DLT0.83
CAQCATECHOLA1XEP0.83
CAQCATECHOLA2PUM0.83
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
HTS2-MERCAPTOPHENOLA2OSM0.8
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
3CH3-CHLOROPHENOLA1LI30.79
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
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
2CH2-CHLOROPHENOLA1WBO0.77
ETY4-ethylphenolA,B,C,D2RA60.77
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
TBP2,4,6-TRIBROMOPHENOLL1E5A0.77
2LP2-ALLYLPHENOLA1OV50.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
2MP3,4-DIMETHYLPHENOLA1L5O0.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.74
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.74
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.73
341(3,5-difluorophenyl)methanolC3EON0.73
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
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
TC72,4,5-trichlorophenolA2VCE0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
PSYphenyl ethenesulfonateA3BM80.71
PSYphenyl ethenesulfonateA3BLT0.71
MBD3-METHYLCATECHOLA1KNF0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71