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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269320

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANFANTHRONEH2BJM0.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
1NP1-NAPHTHOLX2ZVQ0.82
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
MBD3-METHYLCATECHOLA1KNF0.74
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.75
2LP2-ALLYLPHENOLA1OV50.83
2MP3,4-DIMETHYLPHENOLA1L5O0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.89
SS11-PHENYLETHANOLH1UM50.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
ETY4-ethylphenolA,B,C,D2RA60.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
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
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
BML4-BROMOPHENOLA,B,E3DHH0.81
BML4-BROMOPHENOLA,B1XU30.81
BML4-BROMOPHENOLA,B1T0S0.81
OBPA,B2DE30.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
LJ33,5-dibromobiphenyl-4-olA,B3CN20.92
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
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,D1Y0G0.79
IPHPHENOLA,B2OLD0.71
IPHPHENOLA,B,C,D2PZV0.71
IPHPHENOLA1LI20.71
IPHPHENOLA2J9N0.71
IPHPHENOLA,B,C,D2OMB0.71
IPHPHENOLA1JHX0.71
IPHPHENOLA,B,C,D2VE70.71
IPHPHENOLB,D,E,G,H,J,L1AI00.71
IPHPHENOLA,B,C,D1FOH0.71
IPHPHENOLA1V030.71
IPHPHENOLA,C,E,G,I,K5AIY0.71
IPHPHENOLB,D,F,H,J,L1AIY0.71
IPHPHENOLA,B1XU50.71
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.71
IPHPHENOLA,C,E,G,I,K4AIY0.71
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.71
IPHPHENOLA2AS30.71
IPHPHENOLA,B,C,D1ZEG0.71
IPHPHENOLA,B,C,D1PN00.71
IPHPHENOLA,B,C,D1XW70.71
IPHPHENOLA,C,E,G,I,K,M1QIY0.71
IPHPHENOLA,B,C,D1Q4V0.71
IPHPHENOLB1AI70.71
IPHPHENOLA1FJW0.71
IPHPHENOLB,C,D1RWE0.71
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.71
IPHPHENOLB,C,D3GKY0.71
IPHPHENOLA1JHY0.71
IPHPHENOLA,C,E,G,I,K3AIY0.71
IPHPHENOLA,B2OMN0.71
IPHPHENOLA,C,E,G,I,K2AIY0.71
IPHPHENOLA,B,D1MPJ0.71
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.71
IPHPHENOLB,C,D1LPH0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.75
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.81
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
AEF4-(2-aminoethyl)phenolA3BRA0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
BPYBIPHENYL-2,3-DIOLA1KMY0.82
BPYBIPHENYL-2,3-DIOLB1KW80.82
BPYBIPHENYL-2,3-DIOLA2EI30.82
BPYBIPHENYL-2,3-DIOLA1EIR0.82
BPYBIPHENYL-2,3-DIOLB1KW60.82
BPYBIPHENYL-2,3-DIOLB1KWC0.82
BPYBIPHENYL-2,3-DIOLB1KW90.82
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8