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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00376584

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIM0.74
REN(S)-reticulineA3FWA0.86
REN(S)-reticulineA3D2D0.86
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.76
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.76
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.71
OHT4-HYDROXYTAMOXIFENA3ERT0.73
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.73
OHT4-HYDROXYTAMOXIFENA,B1VJB0.73
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.73
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.73
OHT4-HYDROXYTAMOXIFENA2GPU0.73
OHT4-HYDROXYTAMOXIFENA2P7Z0.73
OHT4-HYDROXYTAMOXIFENA,B2BJ40.73
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.73
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.77
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.73
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.71
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.75
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,F2W8F0.71
DPDA,B1QIW0.76
DPDA1QIV0.76
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.73
R23METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-
PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-
(4-CHLOROPHENYL)-ESTER
A,B,C1O790.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.78
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.72
GNT(-)-GALANTHAMINEA1DX60.75
GNT(-)-GALANTHAMINEA1QTI0.75
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.75
GNT(-)-GALANTHAMINEA,B1W760.75
GNT(-)-GALANTHAMINEA1W6R0.75
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.8
AAY8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-
6-METHOXY-2-NAPHTHYL]METHYL}-6-
OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-
1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL 2-METHYLBUTANOATE
A,B1XDD0.71
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIN0.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.84
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA60.72
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.7
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.74
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.73
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.74
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.73
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.71
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE
A,B1HAK0.72
TOLTOLRESTATA2PDL0.79
TOLTOLRESTATA2FZD0.79
TOLTOLRESTATA2FZB0.79
TOLTOLRESTATA1AH30.79
TOLTOLRESTATX1ZUA0.79
TOLTOLRESTATA1AE40.79