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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02407330

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.76
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.76
6GO6-O-methylguanineA3FO60.7
6GO6-O-methylguanineA3GES0.7
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.83
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.78
6MP6-METHYLPURINEA,B,C1OU40.79
6MP6-METHYLPURINEA,B,C1OTY0.79
6MP6-METHYLPURINEA2PUA0.79
2BP9H-purin-2-amineA3G4M0.79
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.78
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.8
6AP9H-PURINE-2,6-DIAMINEA2B570.83
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
M1A6-AMINO-1-METHYLPURINEA1B420.84
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.72
6GU6-chloroguanineA3FO40.79
6GU6-chloroguanineA3GOG0.79
6GU6-chloroguanineA3GER0.79
3MA6-AMINO-3-METHYLPURINEA3MAG0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.75
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.71
XANXANTHINEA,B,C,D1A960.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.85
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.85
BP16-BROMO-7H-PURINEA,B,C1S2I0.78
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.73
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.73
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
PM69H-purine-6-thiolA,B3BGD0.76
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.75
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.76
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.76
ADEADENINEA1WEI0.83
ADEADENINEA2QLU0.83
ADEADENINEA,B2H8G0.83
ADEADENINEA,B1HQC0.83
ADEADENINEA1AHA0.83
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.83
ADEADENINEA,B,D1YXM0.83
ADEADENINEA1CB00.83
ADEADENINEA,B2QTT0.83
ADEADENINEA,B,C1XE80.83
ADEADENINEA,B1M2T0.83
ADEADENINEA2P8N0.83
ADEADENINEA,B,C2PQJ0.83
ADEADENINEA,B,C1VRL0.83
ADEADENINEA,B3BSF0.83
ADEADENINEX1Y260.83
ADEADENINEA,B1ZN70.83
ADEADENINEA,B1Z5N0.83
ADEADENINEA1QB70.83
ADEADENINEA1LU10.83
ADEADENINEA,B1Q8Y0.83
ADEADENINEA2QES0.83
ADEADENINEA2PUB0.83
ADEADENINEA1Z8D0.83
ADEADENINEA1JH80.83
ADEADENINEA1QD20.83
ADEADENINEA2ICS0.83
ADEADENINEA1IFS0.83
ADEADENINEA1NLI0.83
ADEADENINEA,B1D2A0.83
ADEADENINEA1GIU0.83
ADEADENINEA1J1R0.83
ADEADENINEA2QET0.83
ADEADENINEA,B,C1OD40.83
ADEADENINEA,B1QCI0.83
ADEADENINEA,B,C,D,E,F2GA40.83
ADEADENINEA,B1JYS0.83
ADEADENINEA1LPD0.83
ADEADENINEA,B1OD20.83
ADEADENINEA1WTA0.83
ADEADENINEA,B,C1S2D0.83
ADEADENINEA1MUD0.83
ADEADENINEA2PUE0.83
301N6-(penta-2,3-dienyl)adenineA3BW70.8
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.76
A2F2-fluoroadenineA3GOT0.82
A2F2-fluoroadenineA,B,C3GB90.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.79
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.81
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
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.7