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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051430

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.82
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.82
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.82
RCORESORCINOLA,B,C,D,E,F2OMH0.82
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.82
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.82
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.82
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.82
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
OBPA,B2DE30.73
3CH3-CHLOROPHENOLA1LI30.79
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.8
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.75
2CH2-CHLOROPHENOLA1WBO0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
FP22-fluorophenolA3CPO0.86
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
CAQCATECHOLB2BUY0.83
CAQCATECHOLA1KND0.83
CAQCATECHOLB2BUQ0.83
CAQCATECHOLA,B1DLT0.83
CAQCATECHOLA1XEP0.83
CAQCATECHOLA2PUM0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
2MP3,4-DIMETHYLPHENOLA1L5O0.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.7
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,D1Y0G0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.77
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.77
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
MBD3-METHYLCATECHOLA1KNF0.72
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
HTS2-MERCAPTOPHENOLA2OSM0.96
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
IPHPHENOLA,B2OLD0.89
IPHPHENOLA,B,C,D2PZV0.89
IPHPHENOLA1LI20.89
IPHPHENOLA2J9N0.89
IPHPHENOLA,B,C,D2OMB0.89
IPHPHENOLA1JHX0.89
IPHPHENOLA,B,C,D2VE70.89
IPHPHENOLB,D,E,G,H,J,L1AI00.89
IPHPHENOLA,B,C,D1FOH0.89
IPHPHENOLA1V030.89
IPHPHENOLA,C,E,G,I,K5AIY0.89
IPHPHENOLB,D,F,H,J,L1AIY0.89
IPHPHENOLA,B1XU50.89
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.89
IPHPHENOLA,C,E,G,I,K4AIY0.89
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.89
IPHPHENOLA2AS30.89
IPHPHENOLA,B,C,D1ZEG0.89
IPHPHENOLA,B,C,D1PN00.89
IPHPHENOLA,B,C,D1XW70.89
IPHPHENOLA,C,E,G,I,K,M1QIY0.89
IPHPHENOLA,B,C,D1Q4V0.89
IPHPHENOLB1AI70.89
IPHPHENOLA1FJW0.89
IPHPHENOLB,C,D1RWE0.89
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.89
IPHPHENOLB,C,D3GKY0.89
IPHPHENOLA1JHY0.89
IPHPHENOLA,C,E,G,I,K3AIY0.89
IPHPHENOLA,B2OMN0.89
IPHPHENOLA,C,E,G,I,K2AIY0.89
IPHPHENOLA,B,D1MPJ0.89
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.89
IPHPHENOLB,C,D1LPH0.89
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.79
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.75
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
FPN4-FLUOROPHENOLA,B1XVD0.86
ETY4-ethylphenolA,B,C,D2RA60.77
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.72
TBP2,4,6-TRIBROMOPHENOLL1E5A0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.75
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.75
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.77
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.77
FFP2,6-DIFLUOROPHENOLA2INX0.84
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.76
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.87
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
IOL4-IODOPHENOLA,B1EWA0.86
2LP2-ALLYLPHENOLA1OV50.77
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