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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00279136

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.74
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.75
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.76
SS11-PHENYLETHANOLH1UM50.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.77
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.76
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,D1Y0G0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
HTQHOMOTROPINEA,B,C2DQZ0.7
HTQHOMOTROPINEA,B,C,D,E,F1MX50.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
THK4-(4-CHLORO-PHENYL)-1-{3-[2-(4-
FLUORO-PHENYL)-[1,3]DITHIOLAN-2-
YL]-PROPYL}-PIPERIDIN-4-OL
B1AID0.74
THK4-(4-CHLORO-PHENYL)-1-{3-[2-(4-
FLUORO-PHENYL)-[1,3]DITHIOLAN-2-
YL]-PROPYL}-PIPERIDIN-4-OL
A,B2AID0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
AEF4-(2-aminoethyl)phenolA3BRA0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.74
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.74
SS2(1R)-1-PHENYLETHANOLA1ZJY0.74
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.72
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72