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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210072

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,P1T030.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.75
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.75
2BP9H-purin-2-amineA3G4M0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.76
37TTHEOBROMINEA2EFJ0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.85
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.85
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.78
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.7
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.7
A2F2-fluoroadenineA3GOT0.75
A2F2-fluoroadenineA,B,C3GB90.75
M1A6-AMINO-1-METHYLPURINEA1B420.75
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.71
XANXANTHINEA3GAO0.73
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.73
XANXANTHINEA,B,C,D,E,F1YR30.73
XANXANTHINEA2UZ90.73
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.73
XANXANTHINEA,B,C,D1A960.73
9MG9-METHYLGUANINEA1RRW0.7
ADEADENINEA1WEI0.76
ADEADENINEA2QLU0.76
ADEADENINEA,B2H8G0.76
ADEADENINEA,B1HQC0.76
ADEADENINEA1AHA0.76
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.76
ADEADENINEA,B,D1YXM0.76
ADEADENINEA1CB00.76
ADEADENINEA,B2QTT0.76
ADEADENINEA,B,C1XE80.76
ADEADENINEA,B1M2T0.76
ADEADENINEA2P8N0.76
ADEADENINEA,B,C2PQJ0.76
ADEADENINEA,B,C1VRL0.76
ADEADENINEA,B3BSF0.76
ADEADENINEX1Y260.76
ADEADENINEA,B1ZN70.76
ADEADENINEA,B1Z5N0.76
ADEADENINEA1QB70.76
ADEADENINEA1LU10.76
ADEADENINEA,B1Q8Y0.76
ADEADENINEA2QES0.76
ADEADENINEA2PUB0.76
ADEADENINEA1Z8D0.76
ADEADENINEA1JH80.76
ADEADENINEA1QD20.76
ADEADENINEA2ICS0.76
ADEADENINEA1IFS0.76
ADEADENINEA1NLI0.76
ADEADENINEA,B1D2A0.76
ADEADENINEA1GIU0.76
ADEADENINEA1J1R0.76
ADEADENINEA2QET0.76
ADEADENINEA,B,C1OD40.76
ADEADENINEA,B1QCI0.76
ADEADENINEA,B,C,D,E,F2GA40.76
ADEADENINEA,B1JYS0.76
ADEADENINEA1LPD0.76
ADEADENINEA,B1OD20.76
ADEADENINEA1WTA0.76
ADEADENINEA,B,C1S2D0.76
ADEADENINEA1MUD0.76
ADEADENINEA2PUE0.76
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.71
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.72
NDM7,9-DIMETHYLGUANINEA1JSZ0.72
CFFCAFFEINEA,B1L5Q0.72
CFFCAFFEINEA,B2A3B0.72
CFFCAFFEINEA,B1L7X0.72
CFFCAFFEINEA1GFZ0.72
CFFCAFFEINEA,B3DDW0.72
CFFCAFFEINEA,B3DD10.72
CFFCAFFEINEA,B3DDS0.72
CFFCAFFEINEA1C8L0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7
6GU6-chloroguanineA3FO40.72
6GU6-chloroguanineA3GOG0.72
6GU6-chloroguanineA3GER0.72