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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03251172

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
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.83
2LP2-ALLYLPHENOLA1OV50.8
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
VITVITAMIN EA,B1KPM0.76
VITVITAMIN EA,B3CXI0.76
VITVITAMIN EA,B3CYL0.76
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
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.71
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.71
SS11-PHENYLETHANOLH1UM50.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
FP22-fluorophenolA3CPO0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.86
1NP1-NAPHTHOLX2ZVQ0.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.72
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.84
FPN4-FLUOROPHENOLA,B1XVD0.7
ETY4-ethylphenolA,B,C,D2RA60.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.8
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.72
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
FFP2,6-DIFLUOROPHENOLA2INX0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.81
EYK2-tert-butylbenzene-1,4-diolB3EYK0.81
ANFANTHRONEH2BJM0.8
2MP3,4-DIMETHYLPHENOLA1L5O0.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
MBD3-METHYLCATECHOLA1KNF0.76
CRSM-CRESOLA,B,C,D1EV30.79
CRSM-CRESOLA,B,C,D,E,F2OMG0.79
CRSM-CRESOLA,B1UZ90.79
CRSM-CRESOLA,B,C,D1ZEH0.79
CRSM-CRESOLA,B,C,D,E,F1ZEI0.79
CRSM-CRESOLA,C,D,E7INS0.79
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.79
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.76
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.76
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7