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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBAP-HYDROXYBENZALDEHYDEA1K030.7
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.7
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.7
HBAP-HYDROXYBENZALDEHYDEA2GQ90.7
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.7
HBAP-HYDROXYBENZALDEHYDEA1OYB0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
TC72,4,5-trichlorophenolA2VCE0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.74
HC4A1TS60.78
HC4A3PHY0.78
HC4A3PYP0.78
HC4A1T1C0.78
HC4A1OT60.78
HC4A1TS00.78
HC4A1T1A0.78
HC4A2PYP0.78
HC4A2ZOI0.78
HC4A1OTI0.78
HC4A1XFQ0.78
HC4A2D010.78
HC4A,B,C,D,E,F,
G,H
2O7B0.78
HC4A2ZOH0.78
HC4A1GSW0.78
HC4A2QJ70.78
HC4A1F9I0.78
HC4X1UWP0.78
HC4A2PHY0.78
HC4A1T1B0.78
HC4A1F980.78
HC4A1T190.78
HC4X1UWN0.78
HC4A,B,C,D,E,F,
G,H
2O7F0.78
HC4A1UGU0.78
HC4A1TS80.78
HC4A,B1OTD0.78
HC4A1OTE0.78
HC4A1GSX0.78
HC4A1TS70.78
HC4A2PYR0.78
HC4A1S4S0.78
HC4A1GSV0.78
HC4A2I9V0.78
HC4A2QWS0.78
HC4A1XFN0.78
HC4A1S4R0.78
HC4A1T180.78
HC4A1OTA0.78
HC4A1D7E0.78
HC4A1S1Z0.78
HC4A,B,C1MZU0.78
HC4A,B1ODV0.78
HC4A,B2J3J0.78
HC4A2QJ50.78
HC4A1OTB0.78
HC4A2D020.78
HC4A1OT90.78
HC4A1NWZ0.78
HC4A1S1Y0.78
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.9
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.9
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.9
RCORESORCINOLA,B,C,D,E,F2OMH0.9
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.9
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.9
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.9
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.9
2LP2-ALLYLPHENOLA1OV50.82
2MP3,4-DIMETHYLPHENOLA1L5O0.78
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,D1Y0G0.77
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.83
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.83
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.82
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
IPHPHENOLA,B2OLD0.96
IPHPHENOLA,B,C,D2PZV0.96
IPHPHENOLA1LI20.96
IPHPHENOLA2J9N0.96
IPHPHENOLA,B,C,D2OMB0.96
IPHPHENOLA1JHX0.96
IPHPHENOLA,B,C,D2VE70.96
IPHPHENOLB,D,E,G,H,J,L1AI00.96
IPHPHENOLA,B,C,D1FOH0.96
IPHPHENOLA1V030.96
IPHPHENOLA,C,E,G,I,K5AIY0.96
IPHPHENOLB,D,F,H,J,L1AIY0.96
IPHPHENOLA,B1XU50.96
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.96
IPHPHENOLA,C,E,G,I,K4AIY0.96
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.96
IPHPHENOLA2AS30.96
IPHPHENOLA,B,C,D1ZEG0.96
IPHPHENOLA,B,C,D1PN00.96
IPHPHENOLA,B,C,D1XW70.96
IPHPHENOLA,C,E,G,I,K,M1QIY0.96
IPHPHENOLA,B,C,D1Q4V0.96
IPHPHENOLB1AI70.96
IPHPHENOLA1FJW0.96
IPHPHENOLB,C,D1RWE0.96
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.96
IPHPHENOLB,C,D3GKY0.96
IPHPHENOLA1JHY0.96
IPHPHENOLA,C,E,G,I,K3AIY0.96
IPHPHENOLA,B2OMN0.96
IPHPHENOLA,C,E,G,I,K2AIY0.96
IPHPHENOLA,B,D1MPJ0.96
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.96
IPHPHENOLB,C,D1LPH0.96
4NL4-AMINOPHENOLA2ORL0.72
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.72
HTS2-MERCAPTOPHENOLA2OSM0.85
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.72
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
MBD3-METHYLCATECHOLA1KNF0.78
FP22-fluorophenolA3CPO0.92
2682-phenoxyethanolA2RBR0.73
ETY4-ethylphenolA,B,C,D2RA60.82
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.87
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
2612-ethoxyphenolX2RB10.73
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
IOL4-IODOPHENOLA,B1EWA0.92
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.77
FFP2,6-DIFLUOROPHENOLA2INX0.89
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
CRSM-CRESOLA,B,C,D1EV30.83
CRSM-CRESOLA,B,C,D,E,F2OMG0.83
CRSM-CRESOLA,B1UZ90.83
CRSM-CRESOLA,B,C,D1ZEH0.83
CRSM-CRESOLA,B,C,D,E,F1ZEI0.83
CRSM-CRESOLA,C,D,E7INS0.83
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.83
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
BML4-BROMOPHENOLA,B,E3DHH0.84
BML4-BROMOPHENOLA,B1XU30.84
BML4-BROMOPHENOLA,B1T0S0.84
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
2AF2-AMINOPHENOLA1L4N0.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
MCT4-METHYLCATECHOLA1L4G0.78
MCT4-METHYLCATECHOLA2EHZ0.78
MCT4-METHYLCATECHOLA,B1DMH0.78
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.83
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.72
2BR2-BROMOPHENOLA,B,C,D2A9W0.84
TBP2,4,6-TRIBROMOPHENOLL1E5A0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.77
3CH3-CHLOROPHENOLA1LI30.84
PCRP-CRESOLA1JHV0.84
PCRP-CRESOLA1JHU0.84
PCRP-CRESOLA,B,C,D1DIQ0.84
1NP1-NAPHTHOLX2ZVQ0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
AEF4-(2-aminoethyl)phenolA3BRA0.72
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.79
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
2CH2-CHLOROPHENOLA1WBO0.82
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.84
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.84
FPN4-FLUOROPHENOLA,B1XVD0.92
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.74
CAQCATECHOLB2BUY0.91
CAQCATECHOLA1KND0.91
CAQCATECHOLB2BUQ0.91
CAQCATECHOLA,B1DLT0.91
CAQCATECHOLA1XEP0.91
CAQCATECHOLA2PUM0.91