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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015730

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
FPN4-FLUOROPHENOLA,B1XVD0.87
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.73
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
TC72,4,5-trichlorophenolA2VCE0.71
3CH3-CHLOROPHENOLA1LI30.79
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.8
2CH2-CHLOROPHENOLA1WBO0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
CAQCATECHOLB2BUY0.83
CAQCATECHOLA1KND0.83
CAQCATECHOLB2BUQ0.83
CAQCATECHOLA,B1DLT0.83
CAQCATECHOLA1XEP0.83
CAQCATECHOLA2PUM0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
2MP3,4-DIMETHYLPHENOLA1L5O0.74
IOL4-IODOPHENOLA,B1EWA0.94
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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
FFP2,6-DIFLUOROPHENOLA2INX0.87
TBP2,4,6-TRIBROMOPHENOLL1E5A0.79
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
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
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
ETY4-ethylphenolA,B,C,D2RA60.77
FP22-fluorophenolA3CPO0.87
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
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
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.76
PSYphenyl ethenesulfonateA3BM80.71
PSYphenyl ethenesulfonateA3BLT0.71
HTS2-MERCAPTOPHENOLA2OSM0.8
MBD3-METHYLCATECHOLA1KNF0.71
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
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
2LP2-ALLYLPHENOLA1OV50.77
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