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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099883

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
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.74
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.74
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.75
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.73
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.79
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.76
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
ETY4-ethylphenolA,B,C,D2RA60.71
ESOO3-PHOSPHONOESTRONEB,C1ESS0.71
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.74
EQUEQUILENINA,B1OGX0.75
EQUEQUILENINA,B,C,D,E,F1QJG0.75
EQUEQUILENINA,B1OH00.75
EQUEQUILENINA1W6Y0.75
EQUEQUILENINA,B1CQS0.75
EQUEQUILENINA1OGZ0.75
EQUEQUILENINA1GS30.75
EQUEQUILENINA1OHO0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.78
4HP4-HYDROXYPHENYLACETATEA2YYJ0.78
4HP4-HYDROXYPHENYLACETATEA2YYM0.78
4HP4-HYDROXYPHENYLACETATEB1AI60.78
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.77
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
3CAA,B2B770.77
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.78
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.74
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.84
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.73
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.74
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.73
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
2LP2-ALLYLPHENOLA1OV50.71
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.72
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.72
EQIEQUILINA,B1EQU0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.76
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.78
1NP1-NAPHTHOLX2ZVQ0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
ANFANTHRONEH2BJM0.71
2CH2-CHLOROPHENOLA1WBO0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.74
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.77
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.76
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.8
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.8
RDCRADICICOLA,B2Q8I0.71
RDCRADICICOLA,B1U0Z0.71
RDCRADICICOLA1BGQ0.71
RDCRADICICOLB,D,F,H2ZBK0.71
RDCRADICICOLA2HKJ0.71
RDCRADICICOLA,B,C3CGY0.71
RDCRADICICOLA,B2WER0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.87
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.87
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.74
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7