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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03588789

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
6GU6-chloroguanineA3FO40.83
6GU6-chloroguanineA3GOG0.83
6GU6-chloroguanineA3GER0.83
6AP9H-PURINE-2,6-DIAMINEA2B570.88
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.85
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
A2F2-fluoroadenineA3GOT0.86
A2F2-fluoroadenineA,B,C3GB90.86
6GO6-O-methylguanineA3FO60.72
6GO6-O-methylguanineA3GES0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.81
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.78
BCP2-BROMO-6-CHLORO-PURINEA1M660.8
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.8
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.74
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.84
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.89
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.89
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
BP16-BROMO-7H-PURINEA,B,C1S2I0.82
2BP9H-purin-2-amineA3G4M0.83
301N6-(penta-2,3-dienyl)adenineA3BW70.84
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.75
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.82
BOA2-BROMO-6-HYDROXY-PURINEA1M670.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.8
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.87
ADEADENINEA1WEI0.88
ADEADENINEA2QLU0.88
ADEADENINEA,B2H8G0.88
ADEADENINEA,B1HQC0.88
ADEADENINEA1AHA0.88
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.88
ADEADENINEA,B,D1YXM0.88
ADEADENINEA1CB00.88
ADEADENINEA,B2QTT0.88
ADEADENINEA,B,C1XE80.88
ADEADENINEA,B1M2T0.88
ADEADENINEA2P8N0.88
ADEADENINEA,B,C2PQJ0.88
ADEADENINEA,B,C1VRL0.88
ADEADENINEA,B3BSF0.88
ADEADENINEX1Y260.88
ADEADENINEA,B1ZN70.88
ADEADENINEA,B1Z5N0.88
ADEADENINEA1QB70.88
ADEADENINEA1LU10.88
ADEADENINEA,B1Q8Y0.88
ADEADENINEA2QES0.88
ADEADENINEA2PUB0.88
ADEADENINEA1Z8D0.88
ADEADENINEA1JH80.88
ADEADENINEA1QD20.88
ADEADENINEA2ICS0.88
ADEADENINEA1IFS0.88
ADEADENINEA1NLI0.88
ADEADENINEA,B1D2A0.88
ADEADENINEA1GIU0.88
ADEADENINEA1J1R0.88
ADEADENINEA2QET0.88
ADEADENINEA,B,C1OD40.88
ADEADENINEA,B1QCI0.88
ADEADENINEA,B,C,D,E,F2GA40.88
ADEADENINEA,B1JYS0.88
ADEADENINEA1LPD0.88
ADEADENINEA,B1OD20.88
ADEADENINEA1WTA0.88
ADEADENINEA,B,C1S2D0.88
ADEADENINEA1MUD0.88
ADEADENINEA2PUE0.88
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.77
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.77
3MA6-AMINO-3-METHYLPURINEA3MAG0.9
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.95
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.81
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.81
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.81
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.81
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.81
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.7
PM69H-purine-6-thiolA,B3BGD0.8
M1A6-AMINO-1-METHYLPURINEA1B420.9
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.92
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74