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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03079962

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
101A,B,C1CS40.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.74
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.7
2AMADENOSINE-2'-MONOPHOSPHATEA7RNT0.74
2AMADENOSINE-2'-MONOPHOSPHATEA1PGQ0.74
2AMADENOSINE-2'-MONOPHOSPHATEA6RNT0.74
2AMADENOSINE-2'-MONOPHOSPHATEA1RGK0.74
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.72
139A1JN40.71
26A6N-DIMETHYLADENOSINEA2A9Y0.75
26A6N-DIMETHYLADENOSINEA2A9Z0.75
01A4-Chlorophenacyl-coenzyme AA,B3CW90.71
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B1GAG0.7
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
B,C2G2F0.7
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,C,D,E,F,
G,H
2G1T0.7
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B2GS60.7
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,E,F1RQQ0.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA1S1K0.72
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,B1D760.72
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,M1ZAY0.72
1AP2,6-DIAMINOPURINE NUCLEOTIDEA211D0.72
1AP2,6-DIAMINOPURINE NUCLEOTIDEC,E3C290.72
1AP2,6-DIAMINOPURINE NUCLEOTIDEA210D0.72
2BAA3C210.71
2BAA3C1Y0.71
223(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-
D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-
3-OL
A,B,C,D,E,F2ISC0.78
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.74
1DA1-DEAZA-ADENOSINEA1ADD0.92
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.75
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.86
2BUA1U6C0.74
2BUA1U6O0.74
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.75
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.72
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2CIG0.76