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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01071222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
A2NQ70.72
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
A2PE20.72
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.76
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.76
9DG9-DEAZAGUANINEA,B,C,D,E1Q2S0.71
9DG9-DEAZAGUANINEA1IL40.71
9DG9-DEAZAGUANINEA,C1FSG0.71
9DG9-DEAZAGUANINEA,B,C,D1Q2R0.71
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.75
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.7
CYEB1PQQ0.72
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.75
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
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,B1RMX0.77
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.72
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B408D0.76
IPYIMIDAZOLE-PYRROLE POLYAMIDEA,B1CVY0.76
AJI3-[(4-fluorophenyl)sulfanyl]-N-
(4-methyl-1,3-thiazol-2-yl)-6-[(4-
methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-
2-carboxamide
X3A0I0.73
IIPIMIDAZOLE-PYRROLE POLYAMIDEA,B365D0.76
DBQDEBROMOHYMENIALDISINEA2C3J0.74
DBQDEBROMOHYMENIALDISINEA,B1U4D0.74
DBQDEBROMOHYMENIALDISINEA2CN80.74
DBQDEBROMOHYMENIALDISINEA1Z570.74
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one
A,B,C3DJF0.7
DMYDISTAMYCIN AA217D0.76
DMYDISTAMYCIN AA1K2Z0.76
DMYDISTAMYCIN AA,B,E,F2JT70.76
DMYDISTAMYCIN AA,B267D0.76
DMYDISTAMYCIN AA306D0.76
DMYDISTAMYCIN AA304D0.76
DMYDISTAMYCIN AA305D0.76
DMYDISTAMYCIN AA1JUX0.76
DMYDISTAMYCIN AA2DND0.76
DMYDISTAMYCIN AA,B,C,D378D0.76
DMYDISTAMYCIN AB1JTL0.76
DMYDISTAMYCIN AA159D0.76
DMYDISTAMYCIN AA216D0.76
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.74
P11IMIDAZOLE-PYRROLE-BETA ALANINE-
IMIDAZOLE-BETA ALANINE-IMIDAZOLE-
PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
A1LEJ0.74
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE
A2OWB0.7
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE
A,B2J4Z0.7
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUR0.72
33AN-BENZYL-4-[4-(3-CHLOROPHENYL)-
1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
A2OK10.7
33AN-BENZYL-4-[4-(3-CHLOROPHENYL)-
1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
A2OJI0.7
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE
A1KLM0.7
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.76