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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020326

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
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.7
OBPA,B2DE30.73
MBD3-METHYLCATECHOLA1KNF0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
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
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
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
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
2LP2-ALLYLPHENOLA1OV50.82
SS11-PHENYLETHANOLH1UM50.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FFP2,6-DIFLUOROPHENOLA2INX0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.72
HTS2-MERCAPTOPHENOLA2OSM0.73
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.72
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,B2AGV0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.8
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.8
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
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
1NP1-NAPHTHOLX2ZVQ0.73
AEF4-(2-aminoethyl)phenolA3BRA0.75
FPN4-FLUOROPHENOLA,B1XVD0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.76
PCRP-CRESOLA1JHV0.84
PCRP-CRESOLA1JHU0.84
PCRP-CRESOLA,B,C,D1DIQ0.84
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
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
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
ZTWRALOXIFENE COREA,B1GWQ0.76
ETY4-ethylphenolA,B,C,D2RA60.84
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.72
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