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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02374608

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ETY4-ethylphenolA,B,C,D2RA60.81
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.78
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
IPHPHENOLA,B2OLD0.72
IPHPHENOLA,B,C,D2PZV0.72
IPHPHENOLA1LI20.72
IPHPHENOLA2J9N0.72
IPHPHENOLA,B,C,D2OMB0.72
IPHPHENOLA1JHX0.72
IPHPHENOLA,B,C,D2VE70.72
IPHPHENOLB,D,E,G,H,J,L1AI00.72
IPHPHENOLA,B,C,D1FOH0.72
IPHPHENOLA1V030.72
IPHPHENOLA,C,E,G,I,K5AIY0.72
IPHPHENOLB,D,F,H,J,L1AIY0.72
IPHPHENOLA,B1XU50.72
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.72
IPHPHENOLA,C,E,G,I,K4AIY0.72
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.72
IPHPHENOLA2AS30.72
IPHPHENOLA,B,C,D1ZEG0.72
IPHPHENOLA,B,C,D1PN00.72
IPHPHENOLA,B,C,D1XW70.72
IPHPHENOLA,C,E,G,I,K,M1QIY0.72
IPHPHENOLA,B,C,D1Q4V0.72
IPHPHENOLB1AI70.72
IPHPHENOLA1FJW0.72
IPHPHENOLB,C,D1RWE0.72
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.72
IPHPHENOLB,C,D3GKY0.72
IPHPHENOLA1JHY0.72
IPHPHENOLA,C,E,G,I,K3AIY0.72
IPHPHENOLA,B2OMN0.72
IPHPHENOLA,C,E,G,I,K2AIY0.72
IPHPHENOLA,B,D1MPJ0.72
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.72
IPHPHENOLB,C,D1LPH0.72
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.78
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
FPN4-FLUOROPHENOLA,B1XVD0.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.78
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
STLRESVERATROLA,B3CKL0.8
STLRESVERATROLA,B,C,D1U0W0.8
STLRESVERATROLA1CGZ0.8
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.8
STLRESVERATROLA1Z1F0.8
STLRESVERATROLA1DVS0.8
STLRESVERATROLA,B1SG00.8
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.88
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.88
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.88
MBD3-METHYLCATECHOLA1KNF0.74
PCRP-CRESOLA1JHV0.81
PCRP-CRESOLA1JHU0.81
PCRP-CRESOLA,B,C,D1DIQ0.81
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.77
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
2MP3,4-DIMETHYLPHENOLA1L5O0.78
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.7
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
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.78
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
FFP2,6-DIFLUOROPHENOLA2INX0.76
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.81
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.85
DESDIETHYLSTILBESTROLA,B3ERD0.85
DESDIETHYLSTILBESTROLA,B1TT60.85
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.85
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.82
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.83
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.83
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.79
1NP1-NAPHTHOLX2ZVQ0.76
2LP2-ALLYLPHENOLA1OV50.79
341(3,5-difluorophenyl)methanolC3EON0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
OBPA,B2DE30.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.73
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.84
ANFANTHRONEH2BJM0.71
4FCA1YSG0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ40.75
PHBP-HYDROXYBENZOIC ACIDA1DOB0.75
PHBP-HYDROXYBENZOIC ACIDA1PXB0.75
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.75
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUV0.75
PHBP-HYDROXYBENZOIC ACIDA1PBE0.75
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.75
PHBP-HYDROXYBENZOIC ACIDA1PDH0.75
PHBP-HYDROXYBENZOIC ACIDB2BUW0.75
PHBP-HYDROXYBENZOIC ACIDA1CC40.75
PHBP-HYDROXYBENZOIC ACIDA1CC60.75
PHBP-HYDROXYBENZOIC ACIDA1IUW0.75
PHBP-HYDROXYBENZOIC ACIDA1FW90.75
PHBP-HYDROXYBENZOIC ACIDA1G810.75
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUX0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ30.75
PHBP-HYDROXYBENZOIC ACIDA1D7L0.75
PHBP-HYDROXYBENZOIC ACIDA2PHH0.75
PHBP-HYDROXYBENZOIC ACIDA1BGN0.75
PHBP-HYDROXYBENZOIC ACIDA1PXA0.75
PHBP-HYDROXYBENZOIC ACIDA1DOC0.75
PHBP-HYDROXYBENZOIC ACIDA1K0I0.75
PHBP-HYDROXYBENZOIC ACIDA1BKW0.75
PHBP-HYDROXYBENZOIC ACIDA1JD30.75
PHBP-HYDROXYBENZOIC ACIDA1PXC0.75
PHBP-HYDROXYBENZOIC ACIDA1TT80.75
PHBP-HYDROXYBENZOIC ACIDA1CJ20.75
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.75
PHBP-HYDROXYBENZOIC ACIDA1BF30.75
PHBP-HYDROXYBENZOIC ACIDB2BUR0.75
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.75
HBAP-HYDROXYBENZALDEHYDEA1K030.76
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.76
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.76
HBAP-HYDROXYBENZALDEHYDEA2GQ90.76
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.76
HBAP-HYDROXYBENZALDEHYDEA1OYB0.76
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
AC6P-HYDROXYACETOPHENONEA2GQ80.8
AC6P-HYDROXYACETOPHENONEX2O480.8
BPYBIPHENYL-2,3-DIOLA1KMY0.76
BPYBIPHENYL-2,3-DIOLB1KW80.76
BPYBIPHENYL-2,3-DIOLA2EI30.76
BPYBIPHENYL-2,3-DIOLA1EIR0.76
BPYBIPHENYL-2,3-DIOLB1KW60.76
BPYBIPHENYL-2,3-DIOLB1KWC0.76
BPYBIPHENYL-2,3-DIOLB1KW90.76
26CA,B2F7I0.73
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.7
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
AEF4-(2-aminoethyl)phenolA3BRA0.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.71
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.72
FP22-fluorophenolA3CPO0.76
HC4A1TS60.87
HC4A3PHY0.87
HC4A3PYP0.87
HC4A1T1C0.87
HC4A1OT60.87
HC4A1TS00.87
HC4A1T1A0.87
HC4A2PYP0.87
HC4A2ZOI0.87
HC4A1OTI0.87
HC4A1XFQ0.87
HC4A2D010.87
HC4A,B,C,D,E,F,
G,H
2O7B0.87
HC4A2ZOH0.87
HC4A1GSW0.87
HC4A2QJ70.87
HC4A1F9I0.87
HC4X1UWP0.87
HC4A2PHY0.87
HC4A1T1B0.87
HC4A1F980.87
HC4A1T190.87
HC4X1UWN0.87
HC4A,B,C,D,E,F,
G,H
2O7F0.87
HC4A1UGU0.87
HC4A1TS80.87
HC4A,B1OTD0.87
HC4A1OTE0.87
HC4A1GSX0.87
HC4A1TS70.87
HC4A2PYR0.87
HC4A1S4S0.87
HC4A1GSV0.87
HC4A2I9V0.87
HC4A2QWS0.87
HC4A1XFN0.87
HC4A1S4R0.87
HC4A1T180.87
HC4A1OTA0.87
HC4A1D7E0.87
HC4A1S1Z0.87
HC4A,B,C1MZU0.87
HC4A,B1ODV0.87
HC4A,B2J3J0.87
HC4A2QJ50.87
HC4A1OTB0.87
HC4A2D020.87
HC4A1OT90.87
HC4A1NWZ0.87
HC4A1S1Y0.87
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.71
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.77
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.82
DHCCAFFEIC ACIDA1KOU0.82
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.83
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.83
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.73
FHIA,B1Y1D0.74
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.71
FBCA,B2B9A0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
EQIEQUILINA,B1EQU0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
IOL4-IODOPHENOLA,B1EWA0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8