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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02638554

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
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.76
FP22-fluorophenolA3CPO0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
SS11-PHENYLETHANOLH1UM50.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.73
1NP1-NAPHTHOLX2ZVQ0.82
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
B08A,B2E990.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.77
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.75
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
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.75
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.79
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.79
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.73
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
OBPA,B2DE30.78
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
FFP2,6-DIFLUOROPHENOLA2INX0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.85
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.85
DESDIETHYLSTILBESTROLA,B3ERD0.85
DESDIETHYLSTILBESTROLA,B1TT60.85
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.85
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.73
PCRP-CRESOLA1JHV0.82
PCRP-CRESOLA1JHU0.82
PCRP-CRESOLA,B,C,D1DIQ0.82
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
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
ETY4-ethylphenolA,B,C,D2RA60.82
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
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.81
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
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
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.71
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.71
RCORESORCINOLA,B,C,D,E,F2OMH0.71
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.71
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.71
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.71
B76A,B2E9D0.7
ANFANTHRONEH2BJM0.76
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
MBD3-METHYLCATECHOLA1KNF0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
2MP3,4-DIMETHYLPHENOLA1L5O0.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.8
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
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,D1Y0G0.81
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.84
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
FPN4-FLUOROPHENOLA,B1XVD0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
AEF4-(2-aminoethyl)phenolA3BRA0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.77
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
2LP2-ALLYLPHENOLA1OV50.86
B28A,B2E9A0.71
IOL4-IODOPHENOLA,B1EWA0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
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
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.71
CAQCATECHOLB2BUY0.72
CAQCATECHOLA1KND0.72
CAQCATECHOLB2BUQ0.72
CAQCATECHOLA,B1DLT0.72
CAQCATECHOLA1XEP0.72
CAQCATECHOLA2PUM0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.78
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.71
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.72
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8