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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03248340

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPN4-FLUOROPHENOLA,B1XVD0.88
CRSM-CRESOLA,B,C,D1EV30.84
CRSM-CRESOLA,B,C,D,E,F2OMG0.84
CRSM-CRESOLA,B1UZ90.84
CRSM-CRESOLA,B,C,D1ZEH0.84
CRSM-CRESOLA,B,C,D,E,F1ZEI0.84
CRSM-CRESOLA,C,D,E7INS0.84
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.84
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
SS11-PHENYLETHANOLH1UM50.72
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.82
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H
2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H
2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
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
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.79
3CH3-CHLOROPHENOLA1LI30.81
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.75
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.79
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.79
2LP2-ALLYLPHENOLA1OV50.83
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
2BR2-BROMOPHENOLA,B,C,D2A9W0.81
2682-phenoxyethanolA2RBR0.73
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
2612-ethoxyphenolX2RB10.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
MBD3-METHYLCATECHOLA1KNF0.77
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
IOL4-IODOPHENOLA,B1EWA0.88
BML4-BROMOPHENOLA,B,E3DHH0.81
BML4-BROMOPHENOLA,B1XU30.81
BML4-BROMOPHENOLA,B1T0S0.81
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.8
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
1NP1-NAPHTHOLX2ZVQ0.74
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.84
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.84
RCORESORCINOLA,B,C,D,E,F2OMH0.84
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.84
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.84
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.84
EPTHEPTANYL-P-PHENOLA,B1AHZ0.83
ETY4-ethylphenolA,B,C,D2RA60.86
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.81
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
AEF4-(2-aminoethyl)phenolA3BRA0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
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,D1Y0G0.81
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.77
FP22-fluorophenolA3CPO0.88
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
TBP2,4,6-TRIBROMOPHENOLL1E5A0.75
MCT4-METHYLCATECHOLA1L4G0.78
MCT4-METHYLCATECHOLA2EHZ0.78
MCT4-METHYLCATECHOLA,B1DMH0.78
2CH2-CHLOROPHENOLA1WBO0.79
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.82
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
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.74
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
PCRP-CRESOLA1JHV0.85
PCRP-CRESOLA1JHU0.85
PCRP-CRESOLA,B,C,D1DIQ0.85
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
HTS2-MERCAPTOPHENOLA2OSM0.82