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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00274001

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.71
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.74
DEOA,B1ROS0.74
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.83
REN(S)-reticulineA3FWA0.7
REN(S)-reticulineA3D2D0.7
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE
A,B1D4K0.7
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.72
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.72
NHNA,C2GVF0.72
GL8GALANTHAMINE DERIVATIVEA1W4L0.71
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.75
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
A1LF30.72
UIQ(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3U0.76
ROLROLIPRAMA,B,C,D1OYN0.75
ROLROLIPRAMA,B1XMY0.75
ROLROLIPRAMA,B,C,D1Q9M0.75
ROLROLIPRAMA,B1RO60.75
ROLROLIPRAMA,B1XN00.75
ROLROLIPRAMA,B1TBB0.75
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
UIP(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
H,I1YPE0.77
UIP(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3W0.77
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.71
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,B1K6P0.79
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,B1XDG0.71
UIB(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-
5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-
6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-
1-YL}-BENZAMIDINE
H,I1YPJ0.78
UIB(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-
5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-
6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-
1-YL}-BENZAMIDINE
A1Y3X0.78
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3V0.76
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
H,I1YPG0.76
UIR(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROLIZIN-4-YL)-
BENZAMIDINE
A1Y3Y0.76
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.71
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.79
UIZ(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-
5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-
PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE
A1YP90.76
SHY4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-
5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-
A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
H1VZQ0.74