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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006896

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.76
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.76
HTS2-MERCAPTOPHENOLA2OSM0.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
ETY4-ethylphenolA,B,C,D2RA60.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.8
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.8
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.8
RCORESORCINOLA,B,C,D,E,F2OMH0.8
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.8
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.8
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.8
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.8
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.71
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
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,D1Y0G0.72
FFP2,6-DIFLUOROPHENOLA2INX0.82
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.81
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.76
CAQCATECHOLB2BUY0.81
CAQCATECHOLA1KND0.81
CAQCATECHOLB2BUQ0.81
CAQCATECHOLA,B1DLT0.81
CAQCATECHOLA1XEP0.81
CAQCATECHOLA2PUM0.81
FP22-fluorophenolA3CPO0.84
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
2LP2-ALLYLPHENOLA1OV50.76
PSYphenyl ethenesulfonateA3BM80.7
PSYphenyl ethenesulfonateA3BLT0.7
MBD3-METHYLCATECHOLA1KNF0.7
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.76
PBRPENTABROMOPHENOLA,B1E4H0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.72
3CH3-CHLOROPHENOLA1LI30.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.93
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.7
2CH2-CHLOROPHENOLA1WBO0.76
IOL4-IODOPHENOLA,B1EWA0.84
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.82
IPHPHENOLA,B2OLD0.87
IPHPHENOLA,B,C,D2PZV0.87
IPHPHENOLA1LI20.87
IPHPHENOLA2J9N0.87
IPHPHENOLA,B,C,D2OMB0.87
IPHPHENOLA1JHX0.87
IPHPHENOLA,B,C,D2VE70.87
IPHPHENOLB,D,E,G,H,J,L1AI00.87
IPHPHENOLA,B,C,D1FOH0.87
IPHPHENOLA1V030.87
IPHPHENOLA,C,E,G,I,K5AIY0.87
IPHPHENOLB,D,F,H,J,L1AIY0.87
IPHPHENOLA,B1XU50.87
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.87
IPHPHENOLA,C,E,G,I,K4AIY0.87
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.87
IPHPHENOLA2AS30.87
IPHPHENOLA,B,C,D1ZEG0.87
IPHPHENOLA,B,C,D1PN00.87
IPHPHENOLA,B,C,D1XW70.87
IPHPHENOLA,C,E,G,I,K,M1QIY0.87
IPHPHENOLA,B,C,D1Q4V0.87
IPHPHENOLB1AI70.87
IPHPHENOLA1FJW0.87
IPHPHENOLB,C,D1RWE0.87
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.87
IPHPHENOLB,C,D3GKY0.87
IPHPHENOLA1JHY0.87
IPHPHENOLA,C,E,G,I,K3AIY0.87
IPHPHENOLA,B2OMN0.87
IPHPHENOLA,C,E,G,I,K2AIY0.87
IPHPHENOLA,B,D1MPJ0.87
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.87
IPHPHENOLB,C,D1LPH0.87
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.78
BML4-BROMOPHENOLA,B,E3DHH0.97
BML4-BROMOPHENOLA,B1XU30.97
BML4-BROMOPHENOLA,B1T0S0.97
2BR2-BROMOPHENOLA,B,C,D2A9W1
FPN4-FLUOROPHENOLA,B1XVD0.84
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.78
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
LJ33,5-dibromobiphenyl-4-olA,B3CN20.78