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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02518193

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYCPYRROLE-2-CARBOXYLATEA1W620.7
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.7
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.7
PYCPYRROLE-2-CARBOXYLATEA,B1W610.7
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.7
P11IMIDAZOLE-PYRROLE-BETA ALANINE-
IMIDAZOLE-BETA ALANINE-IMIDAZOLE-
PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
A1LEJ0.8
9DG9-DEAZAGUANINEA,B,C,D,E1Q2S0.71
9DG9-DEAZAGUANINEA1IL40.71
9DG9-DEAZAGUANINEA,C1FSG0.71
9DG9-DEAZAGUANINEA,B,C,D1Q2R0.71
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.81
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.81
DMYDISTAMYCIN AA217D0.93
DMYDISTAMYCIN AA1K2Z0.93
DMYDISTAMYCIN AA,B,E,F2JT70.93
DMYDISTAMYCIN AA,B267D0.93
DMYDISTAMYCIN AA306D0.93
DMYDISTAMYCIN AA304D0.93
DMYDISTAMYCIN AA305D0.93
DMYDISTAMYCIN AA1JUX0.93
DMYDISTAMYCIN AA2DND0.93
DMYDISTAMYCIN AA,B,C,D378D0.93
DMYDISTAMYCIN AB1JTL0.93
DMYDISTAMYCIN AA159D0.93
DMYDISTAMYCIN AA216D0.93
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.82
9HX9-DEAZAHYPOXANTHINEA,B,C1I800.72
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
H,P2A2X0.7
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.83
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.84
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.84
CYEB1PQQ0.8
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.78
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.78
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.78
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.78
HP2HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDEA,B1CVX0.79
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.7
AIKN-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-
({[4-(FORMYLAMINO)-1-METHYL-1H-
PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-
1H-PYRROL-2-YL]CARBONYL}AMINO)-
5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
A,B1RMX0.76
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.72
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.82
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.82