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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02398447

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A2F2-fluoroadenineA3GOT0.91
A2F2-fluoroadenineA,B,C3GB90.91
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.72
6GU6-chloroguanineA3FO40.83
6GU6-chloroguanineA3GOG0.83
6GU6-chloroguanineA3GER0.83
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.84
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.8
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.8
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.89
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.82
301N6-(penta-2,3-dienyl)adenineA3BW70.85
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.78
BP16-BROMO-7H-PURINEA,B,C1S2I0.82
M1A6-AMINO-1-METHYLPURINEA1B420.89
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.86
ADEADENINEA1WEI0.89
ADEADENINEA2QLU0.89
ADEADENINEA,B2H8G0.89
ADEADENINEA,B1HQC0.89
ADEADENINEA1AHA0.89
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.89
ADEADENINEA,B,D1YXM0.89
ADEADENINEA1CB00.89
ADEADENINEA,B2QTT0.89
ADEADENINEA,B,C1XE80.89
ADEADENINEA,B1M2T0.89
ADEADENINEA2P8N0.89
ADEADENINEA,B,C2PQJ0.89
ADEADENINEA,B,C1VRL0.89
ADEADENINEA,B3BSF0.89
ADEADENINEX1Y260.89
ADEADENINEA,B1ZN70.89
ADEADENINEA,B1Z5N0.89
ADEADENINEA1QB70.89
ADEADENINEA1LU10.89
ADEADENINEA,B1Q8Y0.89
ADEADENINEA2QES0.89
ADEADENINEA2PUB0.89
ADEADENINEA1Z8D0.89
ADEADENINEA1JH80.89
ADEADENINEA1QD20.89
ADEADENINEA2ICS0.89
ADEADENINEA1IFS0.89
ADEADENINEA1NLI0.89
ADEADENINEA,B1D2A0.89
ADEADENINEA1GIU0.89
ADEADENINEA1J1R0.89
ADEADENINEA2QET0.89
ADEADENINEA,B,C1OD40.89
ADEADENINEA,B1QCI0.89
ADEADENINEA,B,C,D,E,F2GA40.89
ADEADENINEA,B1JYS0.89
ADEADENINEA1LPD0.89
ADEADENINEA,B1OD20.89
ADEADENINEA1WTA0.89
ADEADENINEA,B,C1S2D0.89
ADEADENINEA1MUD0.89
ADEADENINEA2PUE0.89
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.82
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.89
BOA2-BROMO-6-HYDROXY-PURINEA1M670.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.86
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
PM69H-purine-6-thiolA,B3BGD0.81
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.76
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.74
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.71
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.77
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.83
6MP6-METHYLPURINEA,B,C1OU40.85
6MP6-METHYLPURINEA,B,C1OTY0.85
6MP6-METHYLPURINEA2PUA0.85
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
2BP9H-purin-2-amineA3G4M0.84
6AP9H-PURINE-2,6-DIAMINEA2B570.89
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.9
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.9
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.8
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74