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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01370697

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DG1(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2PR20.7
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.7
AM96-(2,6-dimethylphenyl)-2-{[4-(4-
methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-
a]benzimidazol-5(6H)-one
A3BYO0.73
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.75
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE
A,B,C,D,E,F1LVC0.7
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.71
8IDNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEA,B,C,D2HCY0.71
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.72
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2CIG0.7
COTCOA-S-ACETYL TRYPTAMINEA1KUY0.7
COTCOA-S-ACETYL TRYPTAMINEE,F,G,H1IB10.7
COTCOA-S-ACETYL TRYPTAMINEA1CJW0.7
COTCOA-S-ACETYL TRYPTAMINEA1L0C0.7
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.71
1871-{3-[AMINO(IMINO)METHYL]PHENYL}-
N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE
C1X7A0.7
DAK4-(N,N-DIMETHYLAMINO)CINNAMOYL-
COA
A,B,C,D,E,F1EY30.72
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.71
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.73
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
B,C1KTT0.72
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B1SZC0.71
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA1A260.71
CNACARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B2OD20.71
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2N0.74
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.71
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.72