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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02082117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.74
301N6-(penta-2,3-dienyl)adenineA3BW70.7
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium		A3E5F0.7
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.74
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.7
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.73
5AD5'-DEOXYADENOSINEB1XRS0.73
5AD5'-DEOXYADENOSINEA,B,C2CC20.73
5AD5'-DEOXYADENOSINEA,B2FB30.73
5AD5'-DEOXYADENOSINEA3CI30.73
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.73
ADEADENINEA1WEI0.72
ADEADENINEA2QLU0.72
ADEADENINEA,B2H8G0.72
ADEADENINEA,B1HQC0.72
ADEADENINEA1AHA0.72
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.72
ADEADENINEA,B,D1YXM0.72
ADEADENINEA1CB00.72
ADEADENINEA,B2QTT0.72
ADEADENINEA,B,C1XE80.72
ADEADENINEA,B1M2T0.72
ADEADENINEA2P8N0.72
ADEADENINEA,B,C2PQJ0.72
ADEADENINEA,B,C1VRL0.72
ADEADENINEA,B3BSF0.72
ADEADENINEX1Y260.72
ADEADENINEA,B1ZN70.72
ADEADENINEA,B1Z5N0.72
ADEADENINEA1QB70.72
ADEADENINEA1LU10.72
ADEADENINEA,B1Q8Y0.72
ADEADENINEA2QES0.72
ADEADENINEA2PUB0.72
ADEADENINEA1Z8D0.72
ADEADENINEA1JH80.72
ADEADENINEA1QD20.72
ADEADENINEA2ICS0.72
ADEADENINEA1IFS0.72
ADEADENINEA1NLI0.72
ADEADENINEA,B1D2A0.72
ADEADENINEA1GIU0.72
ADEADENINEA1J1R0.72
ADEADENINEA2QET0.72
ADEADENINEA,B,C1OD40.72
ADEADENINEA,B1QCI0.72
ADEADENINEA,B,C,D,E,F2GA40.72
ADEADENINEA,B1JYS0.72
ADEADENINEA1LPD0.72
ADEADENINEA,B1OD20.72
ADEADENINEA1WTA0.72
ADEADENINEA,B,C1S2D0.72
ADEADENINEA1MUD0.72
ADEADENINEA2PUE0.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.77
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.74
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.74
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
103A,B,C1CUL0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.74
M1A6-AMINO-1-METHYLPURINEA1B420.74
3MA6-AMINO-3-METHYLPURINEA3MAG0.74
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.75
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.78
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.79
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.79
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
MAOA1I720.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.8
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.78
6AP9H-PURINE-2,6-DIAMINEA2B570.72
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.73
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.71
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.73
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.8
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.83
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.78
A2F2-fluoroadenineA3GOT0.71
A2F2-fluoroadenineA,B,C3GB90.71
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.73
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.75
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.78
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.71
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.71
A43A,B,C,D,E,F363D0.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.7