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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03457261

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
ETY4-ethylphenolA,B,C,D2RA60.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.82
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
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.76
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.77
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,D1Y0G0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.73
ANFANTHRONEH2BJM0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.8
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.8
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.73
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.73
1NP1-NAPHTHOLX2ZVQ0.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.71
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.75
AEF4-(2-aminoethyl)phenolA3BRA0.7
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
2LP2-ALLYLPHENOLA1OV50.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77