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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.77
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.83
ANFANTHRONEH2BJM0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.77
DHCCAFFEIC ACIDA1KOU0.77
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
OBPA,B2DE30.73
FPN4-FLUOROPHENOLA,B1XVD0.76
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.85
EYK2-tert-butylbenzene-1,4-diolB3EYK0.85
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
CRSM-CRESOLA,B,C,D1EV30.92
CRSM-CRESOLA,B,C,D,E,F2OMG0.92
CRSM-CRESOLA,B1UZ90.92
CRSM-CRESOLA,B,C,D1ZEH0.92
CRSM-CRESOLA,B,C,D,E,F1ZEI0.92
CRSM-CRESOLA,C,D,E7INS0.92
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.92
IOL4-IODOPHENOLA,B1EWA0.82
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
MBD3-METHYLCATECHOLA1KNF0.84
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
1NP1-NAPHTHOLX2ZVQ0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.83
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
PCRP-CRESOLA1JHV0.88
PCRP-CRESOLA1JHU0.88
PCRP-CRESOLA,B,C,D1DIQ0.88
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
3CH3-CHLOROPHENOLA1LI30.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
AC6P-HYDROXYACETOPHENONEA2GQ80.74
AC6P-HYDROXYACETOPHENONEX2O480.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.82
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.73
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
EQIEQUILINA,B1EQU0.7
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.79
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.89
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.89
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.78
STLRESVERATROLA,B3CKL0.81
STLRESVERATROLA,B,C,D1U0W0.81
STLRESVERATROLA1CGZ0.81
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.81
STLRESVERATROLA1Z1F0.81
STLRESVERATROLA1DVS0.81
STLRESVERATROLA,B1SG00.81
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.7
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
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,D1Y0G0.84
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
IPHPHENOLA,B2OLD0.79
IPHPHENOLA,B,C,D2PZV0.79
IPHPHENOLA1LI20.79
IPHPHENOLA2J9N0.79
IPHPHENOLA,B,C,D2OMB0.79
IPHPHENOLA1JHX0.79
IPHPHENOLA,B,C,D2VE70.79
IPHPHENOLB,D,E,G,H,J,L1AI00.79
IPHPHENOLA,B,C,D1FOH0.79
IPHPHENOLA1V030.79
IPHPHENOLA,C,E,G,I,K5AIY0.79
IPHPHENOLB,D,F,H,J,L1AIY0.79
IPHPHENOLA,B1XU50.79
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.79
IPHPHENOLA,C,E,G,I,K4AIY0.79
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.79
IPHPHENOLA2AS30.79
IPHPHENOLA,B,C,D1ZEG0.79
IPHPHENOLA,B,C,D1PN00.79
IPHPHENOLA,B,C,D1XW70.79
IPHPHENOLA,C,E,G,I,K,M1QIY0.79
IPHPHENOLA,B,C,D1Q4V0.79
IPHPHENOLB1AI70.79
IPHPHENOLA1FJW0.79
IPHPHENOLB,C,D1RWE0.79
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.79
IPHPHENOLB,C,D3GKY0.79
IPHPHENOLA1JHY0.79
IPHPHENOLA,C,E,G,I,K3AIY0.79
IPHPHENOLA,B2OMN0.79
IPHPHENOLA,C,E,G,I,K2AIY0.79
IPHPHENOLA,B,D1MPJ0.79
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.79
IPHPHENOLB,C,D1LPH0.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.77
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.81
BPYBIPHENYL-2,3-DIOLB1KW80.81
BPYBIPHENYL-2,3-DIOLA2EI30.81
BPYBIPHENYL-2,3-DIOLA1EIR0.81
BPYBIPHENYL-2,3-DIOLB1KW60.81
BPYBIPHENYL-2,3-DIOLB1KWC0.81
BPYBIPHENYL-2,3-DIOLB1KW90.81
HTS2-MERCAPTOPHENOLA2OSM0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.73
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.73
RCORESORCINOLA,B,C,D,E,F2OMH0.73
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.73
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.73
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.73
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
SS11-PHENYLETHANOLH1UM50.76
FP22-fluorophenolA3CPO0.76
FFP2,6-DIFLUOROPHENOLA2INX0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.81
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.81
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.86
ETY4-ethylphenolA,B,C,D2RA60.89
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
AEF4-(2-aminoethyl)phenolA3BRA0.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.88
2LP2-ALLYLPHENOLA1OV50.86
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.88
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.82
DESDIETHYLSTILBESTROLA,B3ERD0.82
DESDIETHYLSTILBESTROLA,B1TT60.82
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.82
MCT4-METHYLCATECHOLA1L4G0.85
MCT4-METHYLCATECHOLA2EHZ0.85
MCT4-METHYLCATECHOLA,B1DMH0.85
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.74
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71
341(3,5-difluorophenyl)methanolC3EON0.71
HC4A1TS60.8
HC4A3PHY0.8
HC4A3PYP0.8
HC4A1T1C0.8
HC4A1OT60.8
HC4A1TS00.8
HC4A1T1A0.8
HC4A2PYP0.8
HC4A2ZOI0.8
HC4A1OTI0.8
HC4A1XFQ0.8
HC4A2D010.8
HC4A,B,C,D,E,F,
G,H
2O7B0.8
HC4A2ZOH0.8
HC4A1GSW0.8
HC4A2QJ70.8
HC4A1F9I0.8
HC4X1UWP0.8
HC4A2PHY0.8
HC4A1T1B0.8
HC4A1F980.8
HC4A1T190.8
HC4X1UWN0.8
HC4A,B,C,D,E,F,
G,H
2O7F0.8
HC4A1UGU0.8
HC4A1TS80.8
HC4A,B1OTD0.8
HC4A1OTE0.8
HC4A1GSX0.8
HC4A1TS70.8
HC4A2PYR0.8
HC4A1S4S0.8
HC4A1GSV0.8
HC4A2I9V0.8
HC4A2QWS0.8
HC4A1XFN0.8
HC4A1S4R0.8
HC4A1T180.8
HC4A1OTA0.8
HC4A1D7E0.8
HC4A1S1Z0.8
HC4A,B,C1MZU0.8
HC4A,B1ODV0.8
HC4A,B2J3J0.8
HC4A2QJ50.8
HC4A1OTB0.8
HC4A2D020.8
HC4A1OT90.8
HC4A1NWZ0.8
HC4A1S1Y0.8
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71
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