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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02292023

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE
A1H0V0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1D850.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B130D0.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B144D0.75
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B128D0.75
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
M1A6-AMINO-1-METHYLPURINEA1B420.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.73
9MG9-METHYLGUANINEA1RRW0.83
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL
A1GZ80.79
NOSINOSINEA,B,C1PR00.71
NOSINOSINEA,B1KIC0.71
NOSINOSINEA,B,C,D3B9X0.71
NOSINOSINEE1RCT0.71
NOSINOSINEA2FQW0.71
NOSINOSINEA1Z380.71
NOSINOSINEA1A9S0.71
NOSINOSINEA2BSX0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.7
BOA2-BROMO-6-HYDROXY-PURINEA1M670.74
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.75
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.75
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.76
6OGA,B,C,D,E,F2HHW0.76
6OGA,B,C,D,E,F2HVH0.76
6OGA,B1D240.76
6OGA,T2J6S0.76
6OGA,C2HW30.76
6OGA,T2J6T0.76
6OGA,P,T2J6U0.76
6OGA,C2HHT0.76
6OGA,B218D0.76
6OGA,C2HHX0.76
6OGA,B2HHQ0.76
6OGA,C2HHV0.76
6OGA,B,E2O8C0.76
6OGA,B153D0.76
6OGB1T380.76
6OGA,B2HHS0.76
6OGA,C2HHU0.76
6OGA,B1D270.76
6GO6-O-methylguanineA3FO60.9
6GO6-O-methylguanineA3GES0.9
CMG6-O-CYCLOHEXYLMETHYL GUANINEA,C1H1P0.79
CMG6-O-CYCLOHEXYLMETHYL GUANINEA1E1V0.79
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.76
N696-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-
9H-PURIN-2-AMINE
A1W8C0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.76
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74