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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053814

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2LP2-ALLYLPHENOLA1OV50.9
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.82
EPTHEPTANYL-P-PHENOLA,B1AHZ0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.94
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.94
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
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
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
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.78
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.8
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.83
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
2CH2-CHLOROPHENOLA1WBO0.72
PCRP-CRESOLA1JHV0.87
PCRP-CRESOLA1JHU0.87
PCRP-CRESOLA,B,C,D1DIQ0.87
HBAP-HYDROXYBENZALDEHYDEA1K030.72
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.72
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.72
HBAP-HYDROXYBENZALDEHYDEA2GQ90.72
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.72
HBAP-HYDROXYBENZALDEHYDEA1OYB0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.83
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.83
FP22-fluorophenolA3CPO0.86
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.76
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.78
IOL4-IODOPHENOLA,B1EWA0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.82
1NP1-NAPHTHOLX2ZVQ0.79
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.85
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.72
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,D1Y0G0.85
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
AEF4-(2-aminoethyl)phenolA3BRA0.76
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
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
CRSM-CRESOLA,B,C,D1EV30.86
CRSM-CRESOLA,B,C,D,E,F2OMG0.86
CRSM-CRESOLA,B1UZ90.86
CRSM-CRESOLA,B,C,D1ZEH0.86
CRSM-CRESOLA,B,C,D,E,F1ZEI0.86
CRSM-CRESOLA,C,D,E7INS0.86
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.86
HTS2-MERCAPTOPHENOLA2OSM0.74
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.7
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
SS11-PHENYLETHANOLH1UM50.75
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
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.77
ANFANTHRONEH2BJM0.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
HC4A1TS60.79
HC4A3PHY0.79
HC4A3PYP0.79
HC4A1T1C0.79
HC4A1OT60.79
HC4A1TS00.79
HC4A1T1A0.79
HC4A2PYP0.79
HC4A2ZOI0.79
HC4A1OTI0.79
HC4A1XFQ0.79
HC4A2D010.79
HC4A,B,C,D,E,F,
G,H
2O7B0.79
HC4A2ZOH0.79
HC4A1GSW0.79
HC4A2QJ70.79
HC4A1F9I0.79
HC4X1UWP0.79
HC4A2PHY0.79
HC4A1T1B0.79
HC4A1F980.79
HC4A1T190.79
HC4X1UWN0.79
HC4A,B,C,D,E,F,
G,H
2O7F0.79
HC4A1UGU0.79
HC4A1TS80.79
HC4A,B1OTD0.79
HC4A1OTE0.79
HC4A1GSX0.79
HC4A1TS70.79
HC4A2PYR0.79
HC4A1S4S0.79
HC4A1GSV0.79
HC4A2I9V0.79
HC4A2QWS0.79
HC4A1XFN0.79
HC4A1S4R0.79
HC4A1T180.79
HC4A1OTA0.79
HC4A1D7E0.79
HC4A1S1Z0.79
HC4A,B,C1MZU0.79
HC4A,B1ODV0.79
HC4A,B2J3J0.79
HC4A2QJ50.79
HC4A1OTB0.79
HC4A2D020.79
HC4A1OT90.79
HC4A1NWZ0.79
HC4A1S1Y0.79
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
D1NNAPHTHALENE-1,2-DIOLA2EI10.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
2BR2-BROMOPHENOLA,B,C,D2A9W0.73
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
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
FPN4-FLUOROPHENOLA,B1XVD0.86
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.8
EYK2-tert-butylbenzene-1,4-diolB3EYK0.8
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.76
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.83
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.83
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
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
BML4-BROMOPHENOLA,B,E3DHH0.73
BML4-BROMOPHENOLA,B1XU30.73
BML4-BROMOPHENOLA,B1T0S0.73
MBD3-METHYLCATECHOLA1KNF0.83
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.77
ETY4-ethylphenolA,B,C,D2RA60.85
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
STLRESVERATROLA,B3CKL0.77
STLRESVERATROLA,B,C,D1U0W0.77
STLRESVERATROLA1CGZ0.77
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.77
STLRESVERATROLA1Z1F0.77
STLRESVERATROLA1DVS0.77
STLRESVERATROLA,B1SG00.77
2MP3,4-DIMETHYLPHENOLA1L5O0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.78
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
FFP2,6-DIFLUOROPHENOLA2INX0.86
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
IPHPHENOLA,B2OLD0.82
IPHPHENOLA,B,C,D2PZV0.82
IPHPHENOLA1LI20.82
IPHPHENOLA2J9N0.82
IPHPHENOLA,B,C,D2OMB0.82
IPHPHENOLA1JHX0.82
IPHPHENOLA,B,C,D2VE70.82
IPHPHENOLB,D,E,G,H,J,L1AI00.82
IPHPHENOLA,B,C,D1FOH0.82
IPHPHENOLA1V030.82
IPHPHENOLA,C,E,G,I,K5AIY0.82
IPHPHENOLB,D,F,H,J,L1AIY0.82
IPHPHENOLA,B1XU50.82
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.82
IPHPHENOLA,C,E,G,I,K4AIY0.82
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.82
IPHPHENOLA2AS30.82
IPHPHENOLA,B,C,D1ZEG0.82
IPHPHENOLA,B,C,D1PN00.82
IPHPHENOLA,B,C,D1XW70.82
IPHPHENOLA,C,E,G,I,K,M1QIY0.82
IPHPHENOLA,B,C,D1Q4V0.82
IPHPHENOLB1AI70.82
IPHPHENOLA1FJW0.82
IPHPHENOLB,C,D1RWE0.82
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.82
IPHPHENOLB,C,D3GKY0.82
IPHPHENOLA1JHY0.82
IPHPHENOLA,C,E,G,I,K3AIY0.82
IPHPHENOLA,B2OMN0.82
IPHPHENOLA,C,E,G,I,K2AIY0.82
IPHPHENOLA,B,D1MPJ0.82
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.82
IPHPHENOLB,C,D1LPH0.82
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
3CH3-CHLOROPHENOLA1LI30.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
341(3,5-difluorophenyl)methanolC3EON0.81
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
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72