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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02854858

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FP22-fluorophenolA3CPO0.77
2CH2-CHLOROPHENOLA1WBO0.7
2612-ethoxyphenolX2RB10.72
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.81
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.81
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.76
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
BML4-BROMOPHENOLA,B,E3DHH0.9
BML4-BROMOPHENOLA,B1XU30.9
BML4-BROMOPHENOLA,B1T0S0.9
HTS2-MERCAPTOPHENOLA2OSM0.72
PBRPENTABROMOPHENOLA,B1E4H0.76
CAQCATECHOLB2BUY0.87
CAQCATECHOLA1KND0.87
CAQCATECHOLB2BUQ0.87
CAQCATECHOLA,B1DLT0.87
CAQCATECHOLA1XEP0.87
CAQCATECHOLA2PUM0.87
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
3CH3-CHLOROPHENOLA1LI30.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.84
FFP2,6-DIFLUOROPHENOLA2INX0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
ETY4-ethylphenolA,B,C,D2RA60.7
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.77
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.85
2BR2-BROMOPHENOLA,B,C,D2A9W0.92
FPN4-FLUOROPHENOLA,B1XVD0.77
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.71
2LP2-ALLYLPHENOLA1OV50.7
MBD3-METHYLCATECHOLA1KNF0.76
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
IOL4-IODOPHENOLA,B1EWA0.77
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.7
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.75
IPHPHENOLA,B2OLD0.8
IPHPHENOLA,B,C,D2PZV0.8
IPHPHENOLA1LI20.8
IPHPHENOLA2J9N0.8
IPHPHENOLA,B,C,D2OMB0.8
IPHPHENOLA1JHX0.8
IPHPHENOLA,B,C,D2VE70.8
IPHPHENOLB,D,E,G,H,J,L1AI00.8
IPHPHENOLA,B,C,D1FOH0.8
IPHPHENOLA1V030.8
IPHPHENOLA,C,E,G,I,K5AIY0.8
IPHPHENOLB,D,F,H,J,L1AIY0.8
IPHPHENOLA,B1XU50.8
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.8
IPHPHENOLA,C,E,G,I,K4AIY0.8
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.8
IPHPHENOLA2AS30.8
IPHPHENOLA,B,C,D1ZEG0.8
IPHPHENOLA,B,C,D1PN00.8
IPHPHENOLA,B,C,D1XW70.8
IPHPHENOLA,C,E,G,I,K,M1QIY0.8
IPHPHENOLA,B,C,D1Q4V0.8
IPHPHENOLB1AI70.8
IPHPHENOLA1FJW0.8
IPHPHENOLB,C,D1RWE0.8
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.8
IPHPHENOLB,C,D3GKY0.8
IPHPHENOLA1JHY0.8
IPHPHENOLA,C,E,G,I,K3AIY0.8
IPHPHENOLA,B2OMN0.8
IPHPHENOLA,C,E,G,I,K2AIY0.8
IPHPHENOLA,B,D1MPJ0.8
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.8
IPHPHENOLB,C,D1LPH0.8
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71