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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01290587

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
SS11-PHENYLETHANOLH1UM50.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.77
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
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,D1Y0G0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.76
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
2LP2-ALLYLPHENOLA1OV50.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.7
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.7
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.7
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.7
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.7
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.77
RSOR-STYRENE OXIDEA,B1PWZ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.88
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
1NP1-NAPHTHOLX2ZVQ0.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.71
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
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
ETY4-ethylphenolA,B,C,D2RA60.74
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
B76A,B2E9D0.71
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71