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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408571

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FP22-fluorophenolA3CPO0.72
ETY4-ethylphenolA,B,C,D2RA60.87
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
M07(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-
3-(4-METHOXYPHENYL)-1,6-DIOXA-2-
AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL
A2QRG0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.8
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.79
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
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.79
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.82
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
AEF4-(2-aminoethyl)phenolA3BRA0.79
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.77
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.85
DESDIETHYLSTILBESTROLA,B3ERD0.85
DESDIETHYLSTILBESTROLA,B1TT60.85
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.85
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
IPHPHENOLA,B2OLD0.74
IPHPHENOLA,B,C,D2PZV0.74
IPHPHENOLA1LI20.74
IPHPHENOLA2J9N0.74
IPHPHENOLA,B,C,D2OMB0.74
IPHPHENOLA1JHX0.74
IPHPHENOLA,B,C,D2VE70.74
IPHPHENOLB,D,E,G,H,J,L1AI00.74
IPHPHENOLA,B,C,D1FOH0.74
IPHPHENOLA1V030.74
IPHPHENOLA,C,E,G,I,K5AIY0.74
IPHPHENOLB,D,F,H,J,L1AIY0.74
IPHPHENOLA,B1XU50.74
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.74
IPHPHENOLA,C,E,G,I,K4AIY0.74
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.74
IPHPHENOLA2AS30.74
IPHPHENOLA,B,C,D1ZEG0.74
IPHPHENOLA,B,C,D1PN00.74
IPHPHENOLA,B,C,D1XW70.74
IPHPHENOLA,C,E,G,I,K,M1QIY0.74
IPHPHENOLA,B,C,D1Q4V0.74
IPHPHENOLB1AI70.74
IPHPHENOLA1FJW0.74
IPHPHENOLB,C,D1RWE0.74
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.74
IPHPHENOLB,C,D3GKY0.74
IPHPHENOLA1JHY0.74
IPHPHENOLA,C,E,G,I,K3AIY0.74
IPHPHENOLA,B2OMN0.74
IPHPHENOLA,C,E,G,I,K2AIY0.74
IPHPHENOLA,B,D1MPJ0.74
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.74
IPHPHENOLB,C,D1LPH0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.81
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
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.78
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.78
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.72
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.79
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
1NP1-NAPHTHOLX2ZVQ0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.7
SS11-PHENYLETHANOLH1UM50.75
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
OBPA,B2DE30.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.86
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
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.79
4HP4-HYDROXYPHENYLACETATEA2YYJ0.79
4HP4-HYDROXYPHENYLACETATEA2YYM0.79
4HP4-HYDROXYPHENYLACETATEB1AI60.79
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.79
ANFANTHRONEH2BJM0.71
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
2LP2-ALLYLPHENOLA1OV50.85
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
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
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.8
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.8
EYK2-tert-butylbenzene-1,4-diolB3EYK0.8
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.78
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.76
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.79
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
FPN4-FLUOROPHENOLA,B1XVD0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.74
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.81
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.77
IOL4-IODOPHENOLA,B1EWA0.72
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.76
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.83
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.81
PCRP-CRESOLA1JHV0.85
PCRP-CRESOLA1JHU0.85
PCRP-CRESOLA,B,C,D1DIQ0.85
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.7
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.7
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.7
RCORESORCINOLA,B,C,D,E,F2OMH0.7
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.7
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.7
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.7
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.7
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
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
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73