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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006668

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPN4-FLUOROPHENOLA,B1XVD0.88
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
MBD3-METHYLCATECHOLA1KNF0.85
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.7
PSYphenyl ethenesulfonateA3BM80.75
PSYphenyl ethenesulfonateA3BLT0.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
3CH3-CHLOROPHENOLA1LI30.81
PCRP-CRESOLA1JHV0.81
PCRP-CRESOLA1JHU0.81
PCRP-CRESOLA,B,C,D1DIQ0.81
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.87
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.87
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.78
DHCCAFFEIC ACIDA1KOU0.78
ETY4-ethylphenolA,B,C,D2RA60.79
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
2682-phenoxyethanolA2RBR0.75
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
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,D1Y0G0.75
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
2BR2-BROMOPHENOLA,B,C,D2A9W0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
2LP2-ALLYLPHENOLA1OV50.79
IOL4-IODOPHENOLA,B1EWA0.88
BML4-BROMOPHENOLA,B,E3DHH0.81
BML4-BROMOPHENOLA,B1XU30.81
BML4-BROMOPHENOLA,B1T0S0.81
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.8
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.96
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.71
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
FP22-fluorophenolA3CPO0.88
TBP2,4,6-TRIBROMOPHENOLL1E5A0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.76
2CH2-CHLOROPHENOLA1WBO0.79
MCT4-METHYLCATECHOLA1L4G0.86
MCT4-METHYLCATECHOLA2EHZ0.86
MCT4-METHYLCATECHOLA,B1DMH0.86
BPYBIPHENYL-2,3-DIOLA1KMY0.8
BPYBIPHENYL-2,3-DIOLB1KW80.8
BPYBIPHENYL-2,3-DIOLA2EI30.8
BPYBIPHENYL-2,3-DIOLA1EIR0.8
BPYBIPHENYL-2,3-DIOLB1KW60.8
BPYBIPHENYL-2,3-DIOLB1KWC0.8
BPYBIPHENYL-2,3-DIOLB1KW90.8
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.85
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
FFP2,6-DIFLUOROPHENOLA2INX0.86
AEF4-(2-aminoethyl)phenolA3BRA0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.93
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.93
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
DCNDICLOSANA,B,C,D2PD40.71
1NP1-NAPHTHOLX2ZVQ0.7
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.76
HTS2-MERCAPTOPHENOLA2OSM0.82
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
2612-ethoxyphenolX2RB10.8
CAQCATECHOLB2BUY1
CAQCATECHOLA1KND1
CAQCATECHOLB2BUQ1
CAQCATECHOLA,B1DLT1
CAQCATECHOLA1XEP1
CAQCATECHOLA2PUM1
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.86
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.86
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.86
RCORESORCINOLA,B,C,D,E,F2OMH0.86
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.86
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.86
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.86
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.86