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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051429

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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
FFP2,6-DIFLUOROPHENOLA2INX0.9
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.83
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.83
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.83
RCORESORCINOLA,B,C,D,E,F2OMH0.83
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.83
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.83
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.83
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.83
ETY4-ethylphenolA,B,C,D2RA60.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
2612-ethoxyphenolX2RB10.78
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
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
2682-phenoxyethanolA2RBR0.72
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.74
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,D1Y0G0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
MCT4-METHYLCATECHOLA1L4G0.83
MCT4-METHYLCATECHOLA2EHZ0.83
MCT4-METHYLCATECHOLA,B1DMH0.83
2LP2-ALLYLPHENOLA1OV50.76
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
FP22-fluorophenolA3CPO0.92
2MP3,4-DIMETHYLPHENOLA1L5O0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.77
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.8
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
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
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.73
2CH2-CHLOROPHENOLA1WBO0.76
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
MBD3-METHYLCATECHOLA1KNF0.82
HTS2-MERCAPTOPHENOLA2OSM0.79
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
3CH3-CHLOROPHENOLA1LI30.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
CAQCATECHOLB2BUY0.96
CAQCATECHOLA1KND0.96
CAQCATECHOLB2BUQ0.96
CAQCATECHOLA,B1DLT0.96
CAQCATECHOLA1XEP0.96
CAQCATECHOLA2PUM0.96
IOL4-IODOPHENOLA,B1EWA0.85
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
2BR2-BROMOPHENOLA,B,C,D2A9W0.78
TBP2,4,6-TRIBROMOPHENOLL1E5A0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS41
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.84
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.84
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
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.71
BML4-BROMOPHENOLA,B,E3DHH0.78
BML4-BROMOPHENOLA,B1XU30.78
BML4-BROMOPHENOLA,B1T0S0.78
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,B1XVD0.92