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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064968

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
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
6MCCIS-N6-METHYL-DEOXY-ADENOSINE-5'-
MONOPHOSPHATE		B1OQ20.71
PM69H-purine-6-thiolA,B3BGD0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.88
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.9
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
6AP9H-PURINE-2,6-DIAMINEA2B570.79
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.77
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
2BP9H-purin-2-amineA3G4M0.76
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.73
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA8ICU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJV0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1ZYQ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA1KEJ0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P1SKR0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJT0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C,P,Q1SL00.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEP2IMW0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,T2BQU0.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1SL20.7
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,B1QSY0.7
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
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
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.78
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.7
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.92
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.71
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.84
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
103A,B,C1CUL0.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A2O0L0.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT60.7
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE		A,B,C2PT90.7
A43A,B,C,D,E,F363D0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.76
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
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
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.71
ADEADENINEA1WEI0.79
ADEADENINEA2QLU0.79
ADEADENINEA,B2H8G0.79
ADEADENINEA,B1HQC0.79
ADEADENINEA1AHA0.79
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.79
ADEADENINEA,B,D1YXM0.79
ADEADENINEA1CB00.79
ADEADENINEA,B2QTT0.79
ADEADENINEA,B,C1XE80.79
ADEADENINEA,B1M2T0.79
ADEADENINEA2P8N0.79
ADEADENINEA,B,C2PQJ0.79
ADEADENINEA,B,C1VRL0.79
ADEADENINEA,B3BSF0.79
ADEADENINEX1Y260.79
ADEADENINEA,B1ZN70.79
ADEADENINEA,B1Z5N0.79
ADEADENINEA1QB70.79
ADEADENINEA1LU10.79
ADEADENINEA,B1Q8Y0.79
ADEADENINEA2QES0.79
ADEADENINEA2PUB0.79
ADEADENINEA1Z8D0.79
ADEADENINEA1JH80.79
ADEADENINEA1QD20.79
ADEADENINEA2ICS0.79
ADEADENINEA1IFS0.79
ADEADENINEA1NLI0.79
ADEADENINEA,B1D2A0.79
ADEADENINEA1GIU0.79
ADEADENINEA1J1R0.79
ADEADENINEA2QET0.79
ADEADENINEA,B,C1OD40.79
ADEADENINEA,B1QCI0.79
ADEADENINEA,B,C,D,E,F2GA40.79
ADEADENINEA,B1JYS0.79
ADEADENINEA1LPD0.79
ADEADENINEA,B1OD20.79
ADEADENINEA1WTA0.79
ADEADENINEA,B,C1S2D0.79
ADEADENINEA1MUD0.79
ADEADENINEA2PUE0.79
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
6MP6-METHYLPURINEA,B,C1OU40.78
6MP6-METHYLPURINEA,B,C1OTY0.78
6MP6-METHYLPURINEA2PUA0.78
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B1DA30.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F1G380.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B4DNB0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,E,G3FMT0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBS0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C2IH50.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH20.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2NP60.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBT0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D2AOR0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH40.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEC,F1LRR0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C2NP70.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEB1J3E0.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.74
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.81
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.81
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.72
M1A6-AMINO-1-METHYLPURINEA1B420.83
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
MAOA1I720.71
A40A1D350.71
A40A2D340.71
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		A,B2KAL0.71
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		B1UAB0.71
XAD9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-
D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-
6-AMINE		A,B2H9S0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.88
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.71
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.72
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.74
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
3MA6-AMINO-3-METHYLPURINEA3MAG0.83
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74