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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324700

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.85
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.84
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
D1NNAPHTHALENE-1,2-DIOLA2EI10.82
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
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.77
2LP2-ALLYLPHENOLA1OV50.82
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
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
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
FHIA,B1Y1D0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.84
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.74
2MP3,4-DIMETHYLPHENOLA1L5O0.86
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.86
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.84
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.81
ZTWRALOXIFENE COREA,B1GWQ0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.77
ESLESTRIOLA1X8V0.81
LJ33,5-dibromobiphenyl-4-olA,B3CN20.79
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.87
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
ETY4-ethylphenolA,B,C,D2RA60.82
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
PCRP-CRESOLA1JHV0.8
PCRP-CRESOLA1JHU0.8
PCRP-CRESOLA,B,C,D1DIQ0.8
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.84
MBD3-METHYLCATECHOLA1KNF0.77
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.73
EQUEQUILENINA,B1OGX0.78
EQUEQUILENINA,B,C,D,E,F1QJG0.78
EQUEQUILENINA,B1OH00.78
EQUEQUILENINA1W6Y0.78
EQUEQUILENINA,B1CQS0.78
EQUEQUILENINA1OGZ0.78
EQUEQUILENINA1GS30.78
EQUEQUILENINA1OHO0.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.84
DESDIETHYLSTILBESTROLA,B3ERD0.84
DESDIETHYLSTILBESTROLA,B1TT60.84
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.8
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.8
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
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
BPYBIPHENYL-2,3-DIOLA1KMY0.84
BPYBIPHENYL-2,3-DIOLB1KW80.84
BPYBIPHENYL-2,3-DIOLA2EI30.84
BPYBIPHENYL-2,3-DIOLA1EIR0.84
BPYBIPHENYL-2,3-DIOLB1KW60.84
BPYBIPHENYL-2,3-DIOLB1KWC0.84
BPYBIPHENYL-2,3-DIOLB1KW90.84
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.7
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
FP22-fluorophenolA3CPO0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
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
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.83
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.8
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.72
EQIEQUILINA,B1EQU0.8
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.81
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.81
FFP2,6-DIFLUOROPHENOLA2INX0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.86
AEF4-(2-aminoethyl)phenolA3BRA0.74
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
SS11-PHENYLETHANOLH1UM50.71
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.73
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.74
ESTESTRADIOLA,B1GWR0.83
ESTESTRADIOLA1FDS0.83
ESTESTRADIOLA,B,C1G500.83
ESTESTRADIOLA,B,C,D,E,F1ERE0.83
ESTESTRADIOLA,B1A520.83
ESTESTRADIOLA1FDT0.83
ESTESTRADIOLA2OCF0.83
ESTESTRADIOLA,B,C1QKU0.83
ESTESTRADIOLA,B,C,D,L1E6W0.83
ESTESTRADIOLA1IOL0.83
ESTESTRADIOLH1JNN0.83
ESTESTRADIOLB1QKT0.83
ESTESTRADIOLA1FDW0.83
ESTESTRADIOLA,B1AQU0.83
ESTESTRADIOLA1LHU0.83
ESTESTRADIOLA1A270.83
ESTESTRADIOLL1JGL0.83
ESTESTRADIOLA,B,E,F1PCG0.83
ESTESTRADIOLA,B,C,D1FDU0.83
ESTESTRADIOLA2J7X0.83
ESTESTRADIOLA,B2D060.83
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.86
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.86
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.76
OBPA,B2DE30.76
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.78
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol
A,B2QTU0.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.81
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.81
EYK2-tert-butylbenzene-1,4-diolB3EYK0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
FPN4-FLUOROPHENOLA,B1XVD0.75
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
CRSM-CRESOLA,B,C,D1EV30.81
CRSM-CRESOLA,B,C,D,E,F2OMG0.81
CRSM-CRESOLA,B1UZ90.81
CRSM-CRESOLA,B,C,D1ZEH0.81
CRSM-CRESOLA,B,C,D,E,F1ZEI0.81
CRSM-CRESOLA,C,D,E7INS0.81
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.81
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.78
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.82
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.82
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
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.87
1NP1-NAPHTHOLX2ZVQ0.86
ANFANTHRONEH2BJM0.82