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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007849

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MP3,4-DIMETHYLPHENOLA1L5O0.72
HTS2-MERCAPTOPHENOLA2OSM0.78
TC72,4,5-trichlorophenolA2VCE0.71
341(3,5-difluorophenyl)methanolC3EON0.73
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
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.74
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.71
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.71
CAQCATECHOLB2BUY0.81
CAQCATECHOLA1KND0.81
CAQCATECHOLB2BUQ0.81
CAQCATECHOLA,B1DLT0.81
CAQCATECHOLA1XEP0.81
CAQCATECHOLA2PUM0.81
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.82
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
2CH2-CHLOROPHENOLA1WBO0.75
FP22-fluorophenolA3CPO0.92
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
FFP2,6-DIFLUOROPHENOLA2INX0.94
3CH3-CHLOROPHENOLA1LI30.77
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,D1Y0G0.71
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
IOL4-IODOPHENOLA,B1EWA0.84
2LP2-ALLYLPHENOLA1OV50.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.85
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
IPHPHENOLA,B2OLD0.88
IPHPHENOLA,B,C,D2PZV0.88
IPHPHENOLA1LI20.88
IPHPHENOLA2J9N0.88
IPHPHENOLA,B,C,D2OMB0.88
IPHPHENOLA1JHX0.88
IPHPHENOLA,B,C,D2VE70.88
IPHPHENOLB,D,E,G,H,J,L1AI00.88
IPHPHENOLA,B,C,D1FOH0.88
IPHPHENOLA1V030.88
IPHPHENOLA,C,E,G,I,K5AIY0.88
IPHPHENOLB,D,F,H,J,L1AIY0.88
IPHPHENOLA,B1XU50.88
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.88
IPHPHENOLA,C,E,G,I,K4AIY0.88
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.88
IPHPHENOLA2AS30.88
IPHPHENOLA,B,C,D1ZEG0.88
IPHPHENOLA,B,C,D1PN00.88
IPHPHENOLA,B,C,D1XW70.88
IPHPHENOLA,C,E,G,I,K,M1QIY0.88
IPHPHENOLA,B,C,D1Q4V0.88
IPHPHENOLB1AI70.88
IPHPHENOLA1FJW0.88
IPHPHENOLB,C,D1RWE0.88
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.88
IPHPHENOLB,C,D3GKY0.88
IPHPHENOLA1JHY0.88
IPHPHENOLA,C,E,G,I,K3AIY0.88
IPHPHENOLA,B2OMN0.88
IPHPHENOLA,C,E,G,I,K2AIY0.88
IPHPHENOLA,B,D1MPJ0.88
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.88
IPHPHENOLB,C,D1LPH0.88
TBP2,4,6-TRIBROMOPHENOLL1E5A0.77
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.71
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.75
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.75
ETY4-ethylphenolA,B,C,D2RA60.75
BML4-BROMOPHENOLA,B,E3DHH0.77
BML4-BROMOPHENOLA,B1XU30.77
BML4-BROMOPHENOLA,B1T0S0.77
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
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
FPN4-FLUOROPHENOLA,B1XVD0.92
2BR2-BROMOPHENOLA,B,C,D2A9W0.77
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