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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02260619

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
FFP2,6-DIFLUOROPHENOLA2INX0.8
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.75
IPHPHENOLA,B2OLD0.86
IPHPHENOLA,B,C,D2PZV0.86
IPHPHENOLA1LI20.86
IPHPHENOLA2J9N0.86
IPHPHENOLA,B,C,D2OMB0.86
IPHPHENOLA1JHX0.86
IPHPHENOLA,B,C,D2VE70.86
IPHPHENOLB,D,E,G,H,J,L1AI00.86
IPHPHENOLA,B,C,D1FOH0.86
IPHPHENOLA1V030.86
IPHPHENOLA,C,E,G,I,K5AIY0.86
IPHPHENOLB,D,F,H,J,L1AIY0.86
IPHPHENOLA,B1XU50.86
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.86
IPHPHENOLA,C,E,G,I,K4AIY0.86
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.86
IPHPHENOLA2AS30.86
IPHPHENOLA,B,C,D1ZEG0.86
IPHPHENOLA,B,C,D1PN00.86
IPHPHENOLA,B,C,D1XW70.86
IPHPHENOLA,C,E,G,I,K,M1QIY0.86
IPHPHENOLA,B,C,D1Q4V0.86
IPHPHENOLB1AI70.86
IPHPHENOLA1FJW0.86
IPHPHENOLB,C,D1RWE0.86
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.86
IPHPHENOLB,C,D3GKY0.86
IPHPHENOLA1JHY0.86
IPHPHENOLA,C,E,G,I,K3AIY0.86
IPHPHENOLA,B2OMN0.86
IPHPHENOLA,C,E,G,I,K2AIY0.86
IPHPHENOLA,B,D1MPJ0.86
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.86
IPHPHENOLB,C,D1LPH0.86
STLRESVERATROLA,B3CKL0.8
STLRESVERATROLA,B,C,D1U0W0.8
STLRESVERATROLA1CGZ0.8
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.8
STLRESVERATROLA1Z1F0.8
STLRESVERATROLA1DVS0.8
STLRESVERATROLA,B1SG00.8
CAQCATECHOLB2BUY0.82
CAQCATECHOLA1KND0.82
CAQCATECHOLB2BUQ0.82
CAQCATECHOLA,B1DLT0.82
CAQCATECHOLA1XEP0.82
CAQCATECHOLA2PUM0.82
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.73
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.78
IOL4-IODOPHENOLA,B1EWA0.9
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
HTS2-MERCAPTOPHENOLA2OSM0.77
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.84
3CH3-CHLOROPHENOLA1LI30.76
2BR2-BROMOPHENOLA,B,C,D2A9W0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
BML4-BROMOPHENOLA,B,E3DHH0.76
BML4-BROMOPHENOLA,B1XU30.76
BML4-BROMOPHENOLA,B1T0S0.76
2CH2-CHLOROPHENOLA1WBO0.74
FPN4-FLUOROPHENOLA,B1XVD0.83
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
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.75
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.86
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.86
2LP2-ALLYLPHENOLA1OV50.74
2MP3,4-DIMETHYLPHENOLA1L5O0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
TBP2,4,6-TRIBROMOPHENOLL1E5A0.72
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
FP22-fluorophenolA3CPO0.83
PSYphenyl ethenesulfonateA3BM80.71
PSYphenyl ethenesulfonateA3BLT0.71
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.89
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.89
MBD3-METHYLCATECHOLA1KNF0.71
ETY4-ethylphenolA,B,C,D2RA60.74
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.95
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.95
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.95
RCORESORCINOLA,B,C,D,E,F2OMH0.95
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.95
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.95
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.95
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.95
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7