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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03211139

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.93
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.93
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
37TTHEOBROMINEA2EFJ0.74
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.7
CL92-chloro-2'-deoxyadenosineA,B2ZI90.7
301N6-(penta-2,3-dienyl)adenineA3BW70.77
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.93
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.72
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.7
TEPTHEOPHYLLINEA1EHT0.7
TEPTHEOPHYLLINEA,B2A3A0.7
TEPTHEOPHYLLINEA1O150.7
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
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
M1A6-AMINO-1-METHYLPURINEA1B420.84
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
103A,B,C1CUL0.72
6AP9H-PURINE-2,6-DIAMINEA2B570.8
3MA6-AMINO-3-METHYLPURINEA3MAG0.84
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.75
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.71
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
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.78
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE		A,B1T9A0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.89
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.78
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
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.7
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
9MG9-METHYLGUANINEA1RRW0.72
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.78
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.83
CFFCAFFEINEA,B1L5Q0.74
CFFCAFFEINEA,B2A3B0.74
CFFCAFFEINEA,B1L7X0.74
CFFCAFFEINEA1GFZ0.74
CFFCAFFEINEA,B3DDW0.74
CFFCAFFEINEA,B3DD10.74
CFFCAFFEINEA,B3DDS0.74
CFFCAFFEINEA1C8L0.74
6MP6-METHYLPURINEA,B,C1OU40.77
6MP6-METHYLPURINEA,B,C1OTY0.77
6MP6-METHYLPURINEA2PUA0.77
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
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
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
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
NDM7,9-DIMETHYLGUANINEA1JSZ0.77
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.88
2BP9H-purin-2-amineA3G4M0.75
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.75
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.76
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
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.72
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
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
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.8
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.8
ADEADENINEA1WEI0.8
ADEADENINEA2QLU0.8
ADEADENINEA,B2H8G0.8
ADEADENINEA,B1HQC0.8
ADEADENINEA1AHA0.8
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.8
ADEADENINEA,B,D1YXM0.8
ADEADENINEA1CB00.8
ADEADENINEA,B2QTT0.8
ADEADENINEA,B,C1XE80.8
ADEADENINEA,B1M2T0.8
ADEADENINEA2P8N0.8
ADEADENINEA,B,C2PQJ0.8
ADEADENINEA,B,C1VRL0.8
ADEADENINEA,B3BSF0.8
ADEADENINEX1Y260.8
ADEADENINEA,B1ZN70.8
ADEADENINEA,B1Z5N0.8
ADEADENINEA1QB70.8
ADEADENINEA1LU10.8
ADEADENINEA,B1Q8Y0.8
ADEADENINEA2QES0.8
ADEADENINEA2PUB0.8
ADEADENINEA1Z8D0.8
ADEADENINEA1JH80.8
ADEADENINEA1QD20.8
ADEADENINEA2ICS0.8
ADEADENINEA1IFS0.8
ADEADENINEA1NLI0.8
ADEADENINEA,B1D2A0.8
ADEADENINEA1GIU0.8
ADEADENINEA1J1R0.8
ADEADENINEA2QET0.8
ADEADENINEA,B,C1OD40.8
ADEADENINEA,B1QCI0.8
ADEADENINEA,B,C,D,E,F2GA40.8
ADEADENINEA,B1JYS0.8
ADEADENINEA1LPD0.8
ADEADENINEA,B1OD20.8
ADEADENINEA1WTA0.8
ADEADENINEA,B,C1S2D0.8
ADEADENINEA1MUD0.8
ADEADENINEA2PUE0.8