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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02069015

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
103A,B,C1CUL0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
ADEADENINEA1WEI0.77
ADEADENINEA2QLU0.77
ADEADENINEA,B2H8G0.77
ADEADENINEA,B1HQC0.77
ADEADENINEA1AHA0.77
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.77
ADEADENINEA,B,D1YXM0.77
ADEADENINEA1CB00.77
ADEADENINEA,B2QTT0.77
ADEADENINEA,B,C1XE80.77
ADEADENINEA,B1M2T0.77
ADEADENINEA2P8N0.77
ADEADENINEA,B,C2PQJ0.77
ADEADENINEA,B,C1VRL0.77
ADEADENINEA,B3BSF0.77
ADEADENINEX1Y260.77
ADEADENINEA,B1ZN70.77
ADEADENINEA,B1Z5N0.77
ADEADENINEA1QB70.77
ADEADENINEA1LU10.77
ADEADENINEA,B1Q8Y0.77
ADEADENINEA2QES0.77
ADEADENINEA2PUB0.77
ADEADENINEA1Z8D0.77
ADEADENINEA1JH80.77
ADEADENINEA1QD20.77
ADEADENINEA2ICS0.77
ADEADENINEA1IFS0.77
ADEADENINEA1NLI0.77
ADEADENINEA,B1D2A0.77
ADEADENINEA1GIU0.77
ADEADENINEA1J1R0.77
ADEADENINEA2QET0.77
ADEADENINEA,B,C1OD40.77
ADEADENINEA,B1QCI0.77
ADEADENINEA,B,C,D,E,F2GA40.77
ADEADENINEA,B1JYS0.77
ADEADENINEA1LPD0.77
ADEADENINEA,B1OD20.77
ADEADENINEA1WTA0.77
ADEADENINEA,B,C1S2D0.77
ADEADENINEA1MUD0.77
ADEADENINEA2PUE0.77
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
ADNADENOSINEA2JC90.7
ADNADENOSINEA1PG20.7
ADNADENOSINEA,B,C2ZBV0.7
ADNADENOSINEA2DOJ0.7
ADNADENOSINEA,B,C,D1RMT0.7
ADNADENOSINEA,B2C490.7
ADNADENOSINEA,B,C,D3G1U0.7
ADNADENOSINEA,B1Q970.7
ADNADENOSINEA1N3Z0.7
ADNADENOSINEE1FMO0.7
ADNADENOSINEA,B1HO50.7
ADNADENOSINEA,B,C,D2ZBU0.7
ADNADENOSINEA1MRG0.7
ADNADENOSINEA,B,C2EJF0.7
ADNADENOSINEA1MUO0.7
ADNADENOSINEA,B,C,D,E,F1VHW0.7
ADNADENOSINEA,B,C,D,E,F1JDV0.7
ADNADENOSINEA,B1UAY0.7
ADNADENOSINEA1LIK0.7
ADNADENOSINEA,B,C,D3CE60.7
ADNADENOSINEA,B2EJG0.7
ADNADENOSINEA2PKM0.7
ADNADENOSINEA1YI40.7
ADNADENOSINEA1LII0.7
ADNADENOSINEA2EVA0.7
ADNADENOSINEA2Q6K0.7
ADNADENOSINEA1BX40.7
ADNADENOSINEA,B2AC70.7
ADNADENOSINEA,B2B8J0.7
ADNADENOSINEA2FQY0.7
ADNADENOSINEA1Z370.7
ADNADENOSINEA1MRJ0.7
ADNADENOSINEA,B,C1PK70.7
ADNADENOSINEA2PGF0.7
ADNADENOSINEA,B2ZGW0.7
ADNADENOSINEA,B,C,D1JG30.7
ADNADENOSINEA,B,C1WU80.7
ADNADENOSINEA,B,C,D1XWF0.7
ADNADENOSINEA,B,C,D1V8B0.7
ADNADENOSINEA3REQ0.7
ADNADENOSINEA,B2A8T0.7
ADNADENOSINEA1JG20.7
ADNADENOSINEA,B2Q830.7
ADNADENOSINEA,B2B820.7
ADNADENOSINEA,B,C,D,E,F2GL00.7
ADNADENOSINEA,B2W030.7
ADNADENOSINEA,B,C,D1D4F0.7
ADNADENOSINEA,B2OA10.7
ADNADENOSINEA1DGM0.7
ADNADENOSINEA,B,C,D,E,F1ODI0.7
ADNADENOSINEA3FUU0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.78
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.76
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZH0.7
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.7
M1A6-AMINO-1-METHYLPURINEA1B420.78
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B1DA30.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F1G380.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B4DNB0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,E,G3FMT0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBS0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C2IH50.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH20.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2NP60.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBT0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D2AOR0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH40.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEC,F1LRR0.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C2NP70.7
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEB1J3E0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.78
6GO6-O-methylguanineA3FO60.72
6GO6-O-methylguanineA3GES0.72
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.73
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.78
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
MAOA1I720.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B2Z3K0.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PR60.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1ZTF0.7
A40A1D350.7
A40A2D340.7
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		A,B2KAL0.7
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE		B1UAB0.7
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.72
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.77
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C1PW70.7
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B3GLQ0.7
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.75
301N6-(penta-2,3-dienyl)adenineA3BW70.74
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.74
6MCCIS-N6-METHYL-DEOXY-ADENOSINE-5'-
MONOPHOSPHATE		B1OQ20.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.79
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.78
6AP9H-PURINE-2,6-DIAMINEA2B570.77
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.7
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.7
6GU6-chloroguanineA3FO40.73
6GU6-chloroguanineA3GOG0.73
6GU6-chloroguanineA3GER0.73
A2F2-fluoroadenineA3GOT0.76
A2F2-fluoroadenineA,B,C3GB90.76
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.8
9MG9-METHYLGUANINEA1RRW0.7
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.75
BP16-BROMO-7H-PURINEA,B,C1S2I0.72
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.71
CL92-chloro-2'-deoxyadenosineA,B2ZI90.71
PM69H-purine-6-thiolA,B3BGD0.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.71
6MP6-METHYLPURINEA,B,C1OU40.73
6MP6-METHYLPURINEA,B,C1OTY0.73
6MP6-METHYLPURINEA2PUA0.73
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.78
NDM7,9-DIMETHYLGUANINEA1JSZ0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.81
2BP9H-purin-2-amineA3G4M0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.81
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.75
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
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7
A43A,B,C,D,E,F363D0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.77