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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537059

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPN4-FLUOROPHENOLA,B1XVD0.88
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.79
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
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
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
2MP3,4-DIMETHYLPHENOLA1L5O0.7
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.79
2CH2-CHLOROPHENOLA1WBO0.73
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.71
FFP2,6-DIFLUOROPHENOLA2INX0.88
2612-ethoxyphenolX2RB10.75
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
IPHPHENOLA,B2OLD0.85
IPHPHENOLA,B,C,D2PZV0.85
IPHPHENOLA1LI20.85
IPHPHENOLA2J9N0.85
IPHPHENOLA,B,C,D2OMB0.85
IPHPHENOLA1JHX0.85
IPHPHENOLA,B,C,D2VE70.85
IPHPHENOLB,D,E,G,H,J,L1AI00.85
IPHPHENOLA,B,C,D1FOH0.85
IPHPHENOLA1V030.85
IPHPHENOLA,C,E,G,I,K5AIY0.85
IPHPHENOLB,D,F,H,J,L1AIY0.85
IPHPHENOLA,B1XU50.85
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.85
IPHPHENOLA,C,E,G,I,K4AIY0.85
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.85
IPHPHENOLA2AS30.85
IPHPHENOLA,B,C,D1ZEG0.85
IPHPHENOLA,B,C,D1PN00.85
IPHPHENOLA,B,C,D1XW70.85
IPHPHENOLA,C,E,G,I,K,M1QIY0.85
IPHPHENOLA,B,C,D1Q4V0.85
IPHPHENOLB1AI70.85
IPHPHENOLA1FJW0.85
IPHPHENOLB,C,D1RWE0.85
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.85
IPHPHENOLB,C,D3GKY0.85
IPHPHENOLA1JHY0.85
IPHPHENOLA,C,E,G,I,K3AIY0.85
IPHPHENOLA,B2OMN0.85
IPHPHENOLA,C,E,G,I,K2AIY0.85
IPHPHENOLA,B,D1MPJ0.85
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.85
IPHPHENOLB,C,D1LPH0.85
TBP2,4,6-TRIBROMOPHENOLL1E5A0.71
IOL4-IODOPHENOLA,B1EWA0.81
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.86
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.86
2LP2-ALLYLPHENOLA1OV50.73
HTS2-MERCAPTOPHENOLA2OSM0.76
2BR2-BROMOPHENOLA,B,C,D2A9W0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.96
BML4-BROMOPHENOLA,B,E3DHH0.75
BML4-BROMOPHENOLA,B1XU30.75
BML4-BROMOPHENOLA,B1T0S0.75
FP22-fluorophenolA3CPO0.88
CAQCATECHOLB2BUY0.92
CAQCATECHOLA1KND0.92
CAQCATECHOLB2BUQ0.92
CAQCATECHOLA,B1DLT0.92
CAQCATECHOLA1XEP0.92
CAQCATECHOLA2PUM0.92
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.71
ETY4-ethylphenolA,B,C,D2RA60.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
3CH3-CHLOROPHENOLA1LI30.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
MBD3-METHYLCATECHOLA1KNF0.79
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.85
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.85