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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01877168

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HP1IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDEA,B407D0.7
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE
A2QHM0.82
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1O5R0.7
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.74
AGNA1GNP0.73
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
A1UML0.7
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.7
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.73
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one
A,B3DU80.7
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE
A,B,C,D,E,F1LVC0.73
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide
A3BAA0.73
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid
A3BQR0.72
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
BZCA1EFY0.72
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.75
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KQO0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H290.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1NUQ0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1WXG0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KAQ0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1EE10.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D3E270.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1XQD0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H2A0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1IFX0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1XNG0.71
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.7
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
A2W170.71