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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006996

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.73
2CH2-CHLOROPHENOLA1WBO0.72
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
IOL4-IODOPHENOLA,B1EWA0.8
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.82
FPN4-FLUOROPHENOLA,B1XVD0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.7
HTS2-MERCAPTOPHENOLA2OSM0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
TBP2,4,6-TRIBROMOPHENOLL1E5A0.88
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
CAQCATECHOLB2BUY0.79
CAQCATECHOLA1KND0.79
CAQCATECHOLB2BUQ0.79
CAQCATECHOLA,B1DLT0.79
CAQCATECHOLA1XEP0.79
CAQCATECHOLA2PUM0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
BML4-BROMOPHENOLA,B,E3DHH0.93
BML4-BROMOPHENOLA,B1XU30.93
BML4-BROMOPHENOLA,B1T0S0.93
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.77
ETY4-ethylphenolA,B,C,D2RA60.72
PBRPENTABROMOPHENOLA,B1E4H0.78
LJ33,5-dibromobiphenyl-4-olA,B3CN20.75
3CH3-CHLOROPHENOLA1LI30.74
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.79
FFP2,6-DIFLUOROPHENOLA2INX0.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.77
IPHPHENOLA,B2OLD0.83
IPHPHENOLA,B,C,D2PZV0.83
IPHPHENOLA1LI20.83
IPHPHENOLA2J9N0.83
IPHPHENOLA,B,C,D2OMB0.83
IPHPHENOLA1JHX0.83
IPHPHENOLA,B,C,D2VE70.83
IPHPHENOLB,D,E,G,H,J,L1AI00.83
IPHPHENOLA,B,C,D1FOH0.83
IPHPHENOLA1V030.83
IPHPHENOLA,C,E,G,I,K5AIY0.83
IPHPHENOLB,D,F,H,J,L1AIY0.83
IPHPHENOLA,B1XU50.83
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.83
IPHPHENOLA,C,E,G,I,K4AIY0.83
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.83
IPHPHENOLA2AS30.83
IPHPHENOLA,B,C,D1ZEG0.83
IPHPHENOLA,B,C,D1PN00.83
IPHPHENOLA,B,C,D1XW70.83
IPHPHENOLA,C,E,G,I,K,M1QIY0.83
IPHPHENOLA,B,C,D1Q4V0.83
IPHPHENOLB1AI70.83
IPHPHENOLA1FJW0.83
IPHPHENOLB,C,D1RWE0.83
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.83
IPHPHENOLB,C,D3GKY0.83
IPHPHENOLA1JHY0.83
IPHPHENOLA,C,E,G,I,K3AIY0.83
IPHPHENOLA,B2OMN0.83
IPHPHENOLA,C,E,G,I,K2AIY0.83
IPHPHENOLA,B,D1MPJ0.83
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.83
IPHPHENOLB,C,D1LPH0.83
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.95
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
2LP2-ALLYLPHENOLA1OV50.72
FP22-fluorophenolA3CPO0.8
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.78
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.78
RCORESORCINOLA,B,C,D,E,F2OMH0.78
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.78
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.78
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.78
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.73
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.73
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.74
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.74