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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007180

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
MBD3-METHYLCATECHOLA1KNF0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.8
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.73
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.76
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.76
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.79
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.76
BML4-BROMOPHENOLA,B,E3DHH0.8
BML4-BROMOPHENOLA,B1XU30.8
BML4-BROMOPHENOLA,B1T0S0.8
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.74
ETY4-ethylphenolA,B,C,D2RA60.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
IPHPHENOLA,B2OLD0.92
IPHPHENOLA,B,C,D2PZV0.92
IPHPHENOLA1LI20.92
IPHPHENOLA2J9N0.92
IPHPHENOLA,B,C,D2OMB0.92
IPHPHENOLA1JHX0.92
IPHPHENOLA,B,C,D2VE70.92
IPHPHENOLB,D,E,G,H,J,L1AI00.92
IPHPHENOLA,B,C,D1FOH0.92
IPHPHENOLA1V030.92
IPHPHENOLA,C,E,G,I,K5AIY0.92
IPHPHENOLB,D,F,H,J,L1AIY0.92
IPHPHENOLA,B1XU50.92
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.92
IPHPHENOLA,C,E,G,I,K4AIY0.92
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.92
IPHPHENOLA2AS30.92
IPHPHENOLA,B,C,D1ZEG0.92
IPHPHENOLA,B,C,D1PN00.92
IPHPHENOLA,B,C,D1XW70.92
IPHPHENOLA,C,E,G,I,K,M1QIY0.92
IPHPHENOLA,B,C,D1Q4V0.92
IPHPHENOLB1AI70.92
IPHPHENOLA1FJW0.92
IPHPHENOLB,C,D1RWE0.92
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.92
IPHPHENOLB,C,D3GKY0.92
IPHPHENOLA1JHY0.92
IPHPHENOLA,C,E,G,I,K3AIY0.92
IPHPHENOLA,B2OMN0.92
IPHPHENOLA,C,E,G,I,K2AIY0.92
IPHPHENOLA,B,D1MPJ0.92
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.92
IPHPHENOLB,C,D1LPH0.92
341(3,5-difluorophenyl)methanolC3EON0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
FP22-fluorophenolA3CPO0.96
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.88
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.7
PCRP-CRESOLA1JHV0.8
PCRP-CRESOLA1JHU0.8
PCRP-CRESOLA,B,C,D1DIQ0.8
3CH3-CHLOROPHENOLA1LI30.8
2LP2-ALLYLPHENOLA1OV50.79
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
IOL4-IODOPHENOLA,B1EWA0.88
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,D1Y0G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
TBP2,4,6-TRIBROMOPHENOLL1E5A0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.73
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.84
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.84
RCORESORCINOLA,B,C,D,E,F2OMH0.84
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.84
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.84
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.84
HTS2-MERCAPTOPHENOLA2OSM0.81
FFP2,6-DIFLUOROPHENOLA2INX0.96
TC72,4,5-trichlorophenolA2VCE0.72
CRSM-CRESOLA,B,C,D1EV30.8
CRSM-CRESOLA,B,C,D,E,F2OMG0.8
CRSM-CRESOLA,B1UZ90.8
CRSM-CRESOLA,B,C,D1ZEH0.8
CRSM-CRESOLA,B,C,D,E,F1ZEI0.8
CRSM-CRESOLA,C,D,E7INS0.8
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.8
2CH2-CHLOROPHENOLA1WBO0.79
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.85
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.85
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
FPN4-FLUOROPHENOLA,B1XVD0.96
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72