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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00201671

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XM56-methoxy-9-methyl[1,3]dioxolo[4,5-
h]quinolin-8(9H)-one
A,B3G5M0.71
SHY4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-
5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-
A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
H1VZQ0.71
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,B1K6P0.74
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.74
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
A1LF30.71
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
A1Y3V0.73
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,I1YPG0.73
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
A1Y3Y0.73
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
A1YP90.72
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.72
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
A1Y3U0.74
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,I1YPJ0.76
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
A1Y3X0.76
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.75
ROLROLIPRAMA,B,C,D1OYN0.73
ROLROLIPRAMA,B1XMY0.73
ROLROLIPRAMA,B,C,D1Q9M0.73
ROLROLIPRAMA,B1RO60.73
ROLROLIPRAMA,B1XN00.73
ROLROLIPRAMA,B1TBB0.73
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.74
DEOA,B1ROS0.71
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,I1YPE0.74
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
A1Y3W0.74