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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00091620

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.8
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.77
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
FP22-fluorophenolA3CPO0.77
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
OBPA,B2DE30.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
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
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.87
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.87
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.8
PCRP-CRESOLA1JHV0.81
PCRP-CRESOLA1JHU0.81
PCRP-CRESOLA,B,C,D1DIQ0.81
HBAP-HYDROXYBENZALDEHYDEA1K030.72
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.72
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.72
HBAP-HYDROXYBENZALDEHYDEA2GQ90.72
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.72
HBAP-HYDROXYBENZALDEHYDEA1OYB0.72
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.84
ANFANTHRONEH2BJM0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
2LP2-ALLYLPHENOLA1OV50.87
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.78
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.8
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.8
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.78
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
ESTESTRADIOLA,B1GWR0.73
ESTESTRADIOLA1FDS0.73
ESTESTRADIOLA,B,C1G500.73
ESTESTRADIOLA,B,C,D,E,F1ERE0.73
ESTESTRADIOLA,B1A520.73
ESTESTRADIOLA1FDT0.73
ESTESTRADIOLA2OCF0.73
ESTESTRADIOLA,B,C1QKU0.73
ESTESTRADIOLA,B,C,D,L1E6W0.73
ESTESTRADIOLA1IOL0.73
ESTESTRADIOLH1JNN0.73
ESTESTRADIOLB1QKT0.73
ESTESTRADIOLA1FDW0.73
ESTESTRADIOLA,B1AQU0.73
ESTESTRADIOLA1LHU0.73
ESTESTRADIOLA1A270.73
ESTESTRADIOLL1JGL0.73
ESTESTRADIOLA,B,E,F1PCG0.73
ESTESTRADIOLA,B,C,D1FDU0.73
ESTESTRADIOLA2J7X0.73
ESTESTRADIOLA,B2D060.73
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.73
SAL2-HYDROXYBENZOIC ACIDA2I300.73
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.73
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.73
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.73
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.73
SAL2-HYDROXYBENZOIC ACIDA1WYG0.73
SAL2-HYDROXYBENZOIC ACIDA1JGS0.73
SAL2-HYDROXYBENZOIC ACIDX1M6E0.73
SAL2-HYDROXYBENZOIC ACIDA3B9M0.73
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.73
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.73
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.73
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
ETY4-ethylphenolA,B,C,D2RA60.83
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.72
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.82
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.79
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
AEF4-(2-aminoethyl)phenolA3BRA0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.8
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.8
EYK2-tert-butylbenzene-1,4-diolB3EYK0.8
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.76
FPN4-FLUOROPHENOLA,B1XVD0.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
IPHPHENOLA,B2OLD0.76
IPHPHENOLA,B,C,D2PZV0.76
IPHPHENOLA1LI20.76
IPHPHENOLA2J9N0.76
IPHPHENOLA,B,C,D2OMB0.76
IPHPHENOLA1JHX0.76
IPHPHENOLA,B,C,D2VE70.76
IPHPHENOLB,D,E,G,H,J,L1AI00.76
IPHPHENOLA,B,C,D1FOH0.76
IPHPHENOLA1V030.76
IPHPHENOLA,C,E,G,I,K5AIY0.76
IPHPHENOLB,D,F,H,J,L1AIY0.76
IPHPHENOLA,B1XU50.76
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.76
IPHPHENOLA,C,E,G,I,K4AIY0.76
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.76
IPHPHENOLA2AS30.76
IPHPHENOLA,B,C,D1ZEG0.76
IPHPHENOLA,B,C,D1PN00.76
IPHPHENOLA,B,C,D1XW70.76
IPHPHENOLA,C,E,G,I,K,M1QIY0.76
IPHPHENOLA,B,C,D1Q4V0.76
IPHPHENOLB1AI70.76
IPHPHENOLA1FJW0.76
IPHPHENOLB,C,D1RWE0.76
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.76
IPHPHENOLB,C,D3GKY0.76
IPHPHENOLA1JHY0.76
IPHPHENOLA,C,E,G,I,K3AIY0.76
IPHPHENOLA,B2OMN0.76
IPHPHENOLA,C,E,G,I,K2AIY0.76
IPHPHENOLA,B,D1MPJ0.76
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.76
IPHPHENOLB,C,D1LPH0.76
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
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.74
SMN(S)-MANDELIC ACIDA1MDL0.71
IOL4-IODOPHENOLA,B1EWA0.73
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.72
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.72
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.8
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.77
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.73
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
1NP1-NAPHTHOLX2ZVQ0.77
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.71
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
341(3,5-difluorophenyl)methanolC3EON0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.81
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71
SS11-PHENYLETHANOLH1UM50.8
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
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
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
STLRESVERATROLA,B3CKL0.78
STLRESVERATROLA,B,C,D1U0W0.78
STLRESVERATROLA1CGZ0.78
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.78
STLRESVERATROLA1Z1F0.78
STLRESVERATROLA1DVS0.78
STLRESVERATROLA,B1SG00.78
RSOR-STYRENE OXIDEA,B1PWZ0.71
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.75
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.71
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,D1Y0G0.82
MBD3-METHYLCATECHOLA1KNF0.79
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
FFP2,6-DIFLUOROPHENOLA2INX0.77
ESLESTRIOLA1X8V0.72