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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00456954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide
A,B,C,D3E220.71
MOI(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-
HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-
E]ISOQUINOLINE-7,9-DIOL
H,L1Q0Y0.77
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.7
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.71
AB8(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-
HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-
2-OXOETHYL]-2-OXO-1,3-OXAZINAN-
6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-
HEXAHYDRONAPHTHALEN-1-YL (2R)-2-
METHYLBUTANOATE
A,B1XDG0.77
MDW(1R)-N,6-DIHYDROXY-7-METHOXY-2-
[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-
TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE
A2DDY0.75
XN3N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1K6P0.7
NLX(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-
17-METHYL-6-OXO-17-(2-PROPENYL)-
MORPHINANIUM
A,B,C,D,E,F,
G,H,I,J,K,L
1MX90.72
GNT(-)-GALANTHAMINEA1DX60.75
GNT(-)-GALANTHAMINEA1QTI0.75
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.75
GNT(-)-GALANTHAMINEA,B1W760.75
GNT(-)-GALANTHAMINEA1W6R0.75
DPDA,B1QIW0.81
DPDA1QIV0.81
REN(S)-reticulineA3FWA0.89
REN(S)-reticulineA3D2D0.89
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.76
A88(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-
1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-
TRIAZACYCLOHEPTANE
A1PRO0.73
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.92
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.75
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.71
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIN0.72
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
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.73