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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02040414

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.74
C27(6R)-2-amino-6-[2-(3'-methoxybiphenyl-
3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA70.73
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
A1Y3V0.75
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,I1YPG0.75
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
A1Y3Y0.75
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.72
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,B1K6P0.72
XN2N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(BENZO[1,3]DIOXOL-5-YLMETHYL)-
PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-
PENTANAMIDE
A,B1K6V0.72
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
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE
B2OQI0.74
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
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
BBB1-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-
2,4(1H,3H)-DIONE
A,B,C,D,E,F1U1G0.7
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA60.75
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
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