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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02224296

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
M1A6-AMINO-1-METHYLPURINEA1B420.91
9MG9-METHYLGUANINEA1RRW0.79
BOA2-BROMO-6-HYDROXY-PURINEA1M670.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE
A2A7Q0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.97
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.73
6GO6-O-methylguanineA3FO60.72
6GO6-O-methylguanineA3GES0.72
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.84
3MA6-AMINO-3-METHYLPURINEA3MAG0.91
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.91
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.91
2BP9H-purin-2-amineA3G4M0.8
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.72
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.74
6GU6-chloroguanineA3FO40.87
6GU6-chloroguanineA3GOG0.87
6GU6-chloroguanineA3GER0.87
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.98
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.73
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.7
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.7
6MP6-METHYLPURINEA,B,C1OU40.82
6MP6-METHYLPURINEA,B,C1OTY0.82
6MP6-METHYLPURINEA2PUA0.82
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
BP16-BROMO-7H-PURINEA,B,C1S2I0.82
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.83
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.83
37TTHEOBROMINEA2EFJ0.72
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
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.79
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.83
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.77
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.75
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.83
A2F2-fluoroadenineA3GOT0.87
A2F2-fluoroadenineA,B,C3GB90.87
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.82
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.71
5AD5'-DEOXYADENOSINEB1XRS0.71
5AD5'-DEOXYADENOSINEA,B,C2CC20.71
5AD5'-DEOXYADENOSINEA,B2FB30.71
5AD5'-DEOXYADENOSINEA3CI30.71
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.78
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.7
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.75
103A,B,C1CUL0.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.75
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.76
6AP9H-PURINE-2,6-DIAMINEA2B570.89
PM69H-purine-6-thiolA,B3BGD0.8
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.73
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.8