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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02028398

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.75
2BP9H-purin-2-amineA3G4M0.88
6MP6-METHYLPURINEA,B,C1OU40.76
6MP6-METHYLPURINEA,B,C1OTY0.76
6MP6-METHYLPURINEA2PUA0.76
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.71
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
9MG9-METHYLGUANINEA1RRW0.71
ADEADENINEA1WEI0.78
ADEADENINEA2QLU0.78
ADEADENINEA,B2H8G0.78
ADEADENINEA,B1HQC0.78
ADEADENINEA1AHA0.78
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.78
ADEADENINEA,B,D1YXM0.78
ADEADENINEA1CB00.78
ADEADENINEA,B2QTT0.78
ADEADENINEA,B,C1XE80.78
ADEADENINEA,B1M2T0.78
ADEADENINEA2P8N0.78
ADEADENINEA,B,C2PQJ0.78
ADEADENINEA,B,C1VRL0.78
ADEADENINEA,B3BSF0.78
ADEADENINEX1Y260.78
ADEADENINEA,B1ZN70.78
ADEADENINEA,B1Z5N0.78
ADEADENINEA1QB70.78
ADEADENINEA1LU10.78
ADEADENINEA,B1Q8Y0.78
ADEADENINEA2QES0.78
ADEADENINEA2PUB0.78
ADEADENINEA1Z8D0.78
ADEADENINEA1JH80.78
ADEADENINEA1QD20.78
ADEADENINEA2ICS0.78
ADEADENINEA1IFS0.78
ADEADENINEA1NLI0.78
ADEADENINEA,B1D2A0.78
ADEADENINEA1GIU0.78
ADEADENINEA1J1R0.78
ADEADENINEA2QET0.78
ADEADENINEA,B,C1OD40.78
ADEADENINEA,B1QCI0.78
ADEADENINEA,B,C,D,E,F2GA40.78
ADEADENINEA,B1JYS0.78
ADEADENINEA1LPD0.78
ADEADENINEA,B1OD20.78
ADEADENINEA1WTA0.78
ADEADENINEA,B,C1S2D0.78
ADEADENINEA1MUD0.78
ADEADENINEA2PUE0.78
PYD2,5-DIMETHYL-PYRIMIDIN-4-YLAMINEA4THI0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.77
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.86
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.77
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.85
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.73
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.77
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.78
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
A,B1T9B0.71
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
I1E800.71
P1RPYRIMIDINEX2GTF0.71
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.76
6AP9H-PURINE-2,6-DIAMINEA2B570.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.8
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.74
PM69H-purine-6-thiolA,B3BGD0.71
YF12,5-DIMETHYLPYRIMIDIN-4-AMINEA,B,C,D1T9D0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.8
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.74
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.74
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
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.71
M1A6-AMINO-1-METHYLPURINEA1B420.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.7
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.8
6GU6-chloroguanineA3FO40.77
6GU6-chloroguanineA3GOG0.77
6GU6-chloroguanineA3GER0.77