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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03906920

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BCP2-BROMO-6-CHLORO-PURINEA1M660.87
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.87
6GU6-chloroguanineA3FO40.9
6GU6-chloroguanineA3GOG0.9
6GU6-chloroguanineA3GER0.9
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.76
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
CPRA,B1B3O0.72
CPRA,B1JCN0.72
CPRA,B1NFB0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.78
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
BOA2-BROMO-6-HYDROXY-PURINEA1M670.72
6MP6-METHYLPURINEA,B,C1OU40.79
6MP6-METHYLPURINEA,B,C1OTY0.79
6MP6-METHYLPURINEA2PUA0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.73
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.7
CL92-chloro-2'-deoxyadenosineA,B2ZI90.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.76
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.7
5AD5'-DEOXYADENOSINEB1XRS0.7
5AD5'-DEOXYADENOSINEA,B,C2CC20.7
5AD5'-DEOXYADENOSINEA,B2FB30.7
5AD5'-DEOXYADENOSINEA3CI30.7
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.77
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.7
ADEADENINEA1WEI0.84
ADEADENINEA2QLU0.84
ADEADENINEA,B2H8G0.84
ADEADENINEA,B1HQC0.84
ADEADENINEA1AHA0.84
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.84
ADEADENINEA,B,D1YXM0.84
ADEADENINEA1CB00.84
ADEADENINEA,B2QTT0.84
ADEADENINEA,B,C1XE80.84
ADEADENINEA,B1M2T0.84
ADEADENINEA2P8N0.84
ADEADENINEA,B,C2PQJ0.84
ADEADENINEA,B,C1VRL0.84
ADEADENINEA,B3BSF0.84
ADEADENINEX1Y260.84
ADEADENINEA,B1ZN70.84
ADEADENINEA,B1Z5N0.84
ADEADENINEA1QB70.84
ADEADENINEA1LU10.84
ADEADENINEA,B1Q8Y0.84
ADEADENINEA2QES0.84
ADEADENINEA2PUB0.84
ADEADENINEA1Z8D0.84
ADEADENINEA1JH80.84
ADEADENINEA1QD20.84
ADEADENINEA2ICS0.84
ADEADENINEA1IFS0.84
ADEADENINEA1NLI0.84
ADEADENINEA,B1D2A0.84
ADEADENINEA1GIU0.84
ADEADENINEA1J1R0.84
ADEADENINEA2QET0.84
ADEADENINEA,B,C1OD40.84
ADEADENINEA,B1QCI0.84
ADEADENINEA,B,C,D,E,F2GA40.84
ADEADENINEA,B1JYS0.84
ADEADENINEA1LPD0.84
ADEADENINEA,B1OD20.84
ADEADENINEA1WTA0.84
ADEADENINEA,B,C1S2D0.84
ADEADENINEA1MUD0.84
ADEADENINEA2PUE0.84
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.78
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
301N6-(penta-2,3-dienyl)adenineA3BW70.76
BP16-BROMO-7H-PURINEA,B,C1S2I0.78
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
6GO6-O-methylguanineA3FO60.76
6GO6-O-methylguanineA3GES0.76
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.8
2BP9H-purin-2-amineA3G4M0.78
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.72
9MG9-METHYLGUANINEA1RRW0.7
PM69H-purine-6-thiolA,B3BGD0.76
M1A6-AMINO-1-METHYLPURINEA1B420.83
6AP9H-PURINE-2,6-DIAMINEA2B570.84
A2F2-fluoroadenineA3GOT0.82
A2F2-fluoroadenineA,B,C3GB90.82
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.88
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.74
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.83
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74