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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03004096

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.82
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
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
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.71
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
3CH3-CHLOROPHENOLA1LI30.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
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
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.75
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
2CH2-CHLOROPHENOLA1WBO0.77
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
FP22-fluorophenolA3CPO0.86
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
2LP2-ALLYLPHENOLA1OV50.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
PCRP-CRESOLA1JHV0.83
PCRP-CRESOLA1JHU0.83
PCRP-CRESOLA,B,C,D1DIQ0.83
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.77
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.77
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
2682-phenoxyethanolA2RBR0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
2612-ethoxyphenolX2RB10.75
MBD3-METHYLCATECHOLA1KNF0.77
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
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
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
CRSM-CRESOLA,B,C,D1EV30.82
CRSM-CRESOLA,B,C,D,E,F2OMG0.82
CRSM-CRESOLA,B1UZ90.82
CRSM-CRESOLA,B,C,D1ZEH0.82
CRSM-CRESOLA,B,C,D,E,F1ZEI0.82
CRSM-CRESOLA,C,D,E7INS0.82
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.82
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.75
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
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
FPN4-FLUOROPHENOLA,B1XVD0.86
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
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,D1Y0G0.79
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
SS11-PHENYLETHANOLH1UM50.71
MCT4-METHYLCATECHOLA1L4G0.78
MCT4-METHYLCATECHOLA2EHZ0.78
MCT4-METHYLCATECHOLA,B1DMH0.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.83
FFP2,6-DIFLUOROPHENOLA2INX0.84
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
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
1NP1-NAPHTHOLX2ZVQ0.72
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
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
AEF4-(2-aminoethyl)phenolA3BRA0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
HTS2-MERCAPTOPHENOLA2OSM0.8
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
2MP3,4-DIMETHYLPHENOLA1L5O0.8
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
ETY4-ethylphenolA,B,C,D2RA60.84
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
IOL4-IODOPHENOLA,B1EWA0.86
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77