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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339477

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
FP22-fluorophenolA3CPO0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.84
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.84
OBPA,B2DE30.73
MBD3-METHYLCATECHOLA1KNF0.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
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
HC4A1TS60.78
HC4A3PHY0.78
HC4A3PYP0.78
HC4A1T1C0.78
HC4A1OT60.78
HC4A1TS00.78
HC4A1T1A0.78
HC4A2PYP0.78
HC4A2ZOI0.78
HC4A1OTI0.78
HC4A1XFQ0.78
HC4A2D010.78
HC4A,B,C,D,E,F,
G,H
2O7B0.78
HC4A2ZOH0.78
HC4A1GSW0.78
HC4A2QJ70.78
HC4A1F9I0.78
HC4X1UWP0.78
HC4A2PHY0.78
HC4A1T1B0.78
HC4A1F980.78
HC4A1T190.78
HC4X1UWN0.78
HC4A,B,C,D,E,F,
G,H
2O7F0.78
HC4A1UGU0.78
HC4A1TS80.78
HC4A,B1OTD0.78
HC4A1OTE0.78
HC4A1GSX0.78
HC4A1TS70.78
HC4A2PYR0.78
HC4A1S4S0.78
HC4A1GSV0.78
HC4A2I9V0.78
HC4A2QWS0.78
HC4A1XFN0.78
HC4A1S4R0.78
HC4A1T180.78
HC4A1OTA0.78
HC4A1D7E0.78
HC4A1S1Z0.78
HC4A,B,C1MZU0.78
HC4A,B1ODV0.78
HC4A,B2J3J0.78
HC4A2QJ50.78
HC4A1OTB0.78
HC4A2D020.78
HC4A1OT90.78
HC4A1NWZ0.78
HC4A1S1Y0.78
DCNDICLOSANA,B,C,D2PD40.73
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
2LP2-ALLYLPHENOLA1OV50.82
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
SS11-PHENYLETHANOLH1UM50.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.85
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.78
FFP2,6-DIFLUOROPHENOLA2INX0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.84
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.7
ANFANTHRONEH2BJM0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
IPHPHENOLA,B2OLD0.75
IPHPHENOLA,B,C,D2PZV0.75
IPHPHENOLA1LI20.75
IPHPHENOLA2J9N0.75
IPHPHENOLA,B,C,D2OMB0.75
IPHPHENOLA1JHX0.75
IPHPHENOLA,B,C,D2VE70.75
IPHPHENOLB,D,E,G,H,J,L1AI00.75
IPHPHENOLA,B,C,D1FOH0.75
IPHPHENOLA1V030.75
IPHPHENOLA,C,E,G,I,K5AIY0.75
IPHPHENOLB,D,F,H,J,L1AIY0.75
IPHPHENOLA,B1XU50.75
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.75
IPHPHENOLA,C,E,G,I,K4AIY0.75
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.75
IPHPHENOLA2AS30.75
IPHPHENOLA,B,C,D1ZEG0.75
IPHPHENOLA,B,C,D1PN00.75
IPHPHENOLA,B,C,D1XW70.75
IPHPHENOLA,C,E,G,I,K,M1QIY0.75
IPHPHENOLA,B,C,D1Q4V0.75
IPHPHENOLB1AI70.75
IPHPHENOLA1FJW0.75
IPHPHENOLB,C,D1RWE0.75
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.75
IPHPHENOLB,C,D3GKY0.75
IPHPHENOLA1JHY0.75
IPHPHENOLA,C,E,G,I,K3AIY0.75
IPHPHENOLA,B2OMN0.75
IPHPHENOLA,C,E,G,I,K2AIY0.75
IPHPHENOLA,B,D1MPJ0.75
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.75
IPHPHENOLB,C,D1LPH0.75
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
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
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
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
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
3CAA,B2B770.74
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.83
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
AEF4-(2-aminoethyl)phenolA3BRA0.75
FPN4-FLUOROPHENOLA,B1XVD0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.71
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
TC72,4,5-trichlorophenolA2VCE0.73
3CH3-CHLOROPHENOLA1LI30.84
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
PCRP-CRESOLA1JHV0.84
PCRP-CRESOLA1JHU0.84
PCRP-CRESOLA,B,C,D1DIQ0.84
43M4-CHLORO-3-METHYLPHENOLA2P7A0.88
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
CAQCATECHOLB2BUY0.7
CAQCATECHOLA1KND0.7
CAQCATECHOLB2BUQ0.7
CAQCATECHOLA,B1DLT0.7
CAQCATECHOLA1XEP0.7
CAQCATECHOLA2PUM0.7
IOL4-IODOPHENOLA,B1EWA0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.8
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
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
ETY4-ethylphenolA,B,C,D2RA60.84
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
2CH2-CHLOROPHENOLA1WBO0.82
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
1NP1-NAPHTHOLX2ZVQ0.78
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79