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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393282

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.76
301N6-(penta-2,3-dienyl)adenineA3BW70.86
6MP6-METHYLPURINEA,B,C1OU40.87
6MP6-METHYLPURINEA,B,C1OTY0.87
6MP6-METHYLPURINEA2PUA0.87
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.76
9MG9-METHYLGUANINEA1RRW0.71
BOA2-BROMO-6-HYDROXY-PURINEA1M670.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.75
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.92
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.92
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.8
M1A6-AMINO-1-METHYLPURINEA1B420.92
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.83
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.86
MAOA1I720.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.71
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.79
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.77
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.9
BCP2-BROMO-6-CHLORO-PURINEA1M660.82
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.82
6GO6-O-methylguanineA3FO60.74
6GO6-O-methylguanineA3GES0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.73
A2F2-fluoroadenineA3GOT0.89
A2F2-fluoroadenineA,B,C3GB90.89
3MA6-AMINO-3-METHYLPURINEA3MAG0.92
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.85
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.74
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.79
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.8
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.83
6GU6-chloroguanineA3FO40.85
6GU6-chloroguanineA3GOG0.85
6GU6-chloroguanineA3GER0.85
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.8
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.87
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.91
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.82
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.93
PM69H-purine-6-thiolA,B3BGD0.82
2BP9H-purin-2-amineA3G4M0.85
TEPTHEOPHYLLINEA1EHT0.71
TEPTHEOPHYLLINEA,B2A3A0.71
TEPTHEOPHYLLINEA1O150.71
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.81
103A,B,C1CUL0.71
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.81
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.88
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.81
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.77
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.77
BP16-BROMO-7H-PURINEA,B,C1S2I0.84
ADEADENINEA1WEI0.9
ADEADENINEA2QLU0.9
ADEADENINEA,B2H8G0.9
ADEADENINEA,B1HQC0.9
ADEADENINEA1AHA0.9
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.9
ADEADENINEA,B,D1YXM0.9
ADEADENINEA1CB00.9
ADEADENINEA,B2QTT0.9
ADEADENINEA,B,C1XE80.9
ADEADENINEA,B1M2T0.9
ADEADENINEA2P8N0.9
ADEADENINEA,B,C2PQJ0.9
ADEADENINEA,B,C1VRL0.9
ADEADENINEA,B3BSF0.9
ADEADENINEX1Y260.9
ADEADENINEA,B1ZN70.9
ADEADENINEA,B1Z5N0.9
ADEADENINEA1QB70.9
ADEADENINEA1LU10.9
ADEADENINEA,B1Q8Y0.9
ADEADENINEA2QES0.9
ADEADENINEA2PUB0.9
ADEADENINEA1Z8D0.9
ADEADENINEA1JH80.9
ADEADENINEA1QD20.9
ADEADENINEA2ICS0.9
ADEADENINEA1IFS0.9
ADEADENINEA1NLI0.9
ADEADENINEA,B1D2A0.9
ADEADENINEA1GIU0.9
ADEADENINEA1J1R0.9
ADEADENINEA2QET0.9
ADEADENINEA,B,C1OD40.9
ADEADENINEA,B1QCI0.9
ADEADENINEA,B,C,D,E,F2GA40.9
ADEADENINEA,B1JYS0.9
ADEADENINEA1LPD0.9
ADEADENINEA,B1OD20.9
ADEADENINEA1WTA0.9
ADEADENINEA,B,C1S2D0.9
ADEADENINEA1MUD0.9
ADEADENINEA2PUE0.9
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.78