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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01827480

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.7
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.7
2MP3,4-DIMETHYLPHENOLA1L5O0.72
SS11-PHENYLETHANOLH1UM50.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
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
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
B76A,B2E9D0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.7
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.89
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,D1Y0G0.73
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.7
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
1NP1-NAPHTHOLX2ZVQ0.74
ESOO3-PHOSPHONOESTRONEB,C1ESS0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.7
ETY4-ethylphenolA,B,C,D2RA60.75
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
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.71
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.71
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.71
2LP2-ALLYLPHENOLA1OV50.77
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
RSOR-STYRENE OXIDEA,B1PWZ0.71
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.7