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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00854389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.7
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B2Z3K0.73
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PR60.73
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1ZTF0.73
2BP9H-purin-2-amineA3G4M0.81
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1OBC0.71
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A2V0C0.71
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1H3N0.71
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE		A1OBH0.71
6MP6-METHYLPURINEA,B,C1OU40.81
6MP6-METHYLPURINEA,B,C1OTY0.81
6MP6-METHYLPURINEA2PUA0.81
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C1PW70.73
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B3GLQ0.73
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL		A1LI40.7
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.75
5AD5'-DEOXYADENOSINEB1XRS0.75
5AD5'-DEOXYADENOSINEA,B,C2CC20.75
5AD5'-DEOXYADENOSINEA,B2FB30.75
5AD5'-DEOXYADENOSINEA3CI30.75
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.75
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine		A,B3H0V0.7
6GU6-chloroguanineA3FO40.8
6GU6-chloroguanineA3GOG0.8
6GU6-chloroguanineA3GER0.8
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
6GO6-O-methylguanineA3FO60.78
6GO6-O-methylguanineA3GES0.78
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.85
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.8
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine		A,B3DZ60.7
BP16-BROMO-7H-PURINEA,B,C1S2I0.79
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.78
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.73
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.72
301N6-(penta-2,3-dienyl)adenineA3BW70.77
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.72
PM69H-purine-6-thiolA,B3BGD0.78
26A6N-DIMETHYLADENOSINEA2A9Y0.7
26A6N-DIMETHYLADENOSINEA2A9Z0.7
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.7
ADNADENOSINEA2JC90.73
ADNADENOSINEA1PG20.73
ADNADENOSINEA,B,C2ZBV0.73
ADNADENOSINEA2DOJ0.73
ADNADENOSINEA,B,C,D1RMT0.73
ADNADENOSINEA,B2C490.73
ADNADENOSINEA,B,C,D3G1U0.73
ADNADENOSINEA,B1Q970.73
ADNADENOSINEA1N3Z0.73
ADNADENOSINEE1FMO0.73
ADNADENOSINEA,B1HO50.73
ADNADENOSINEA,B,C,D2ZBU0.73
ADNADENOSINEA1MRG0.73
ADNADENOSINEA,B,C2EJF0.73
ADNADENOSINEA1MUO0.73
ADNADENOSINEA,B,C,D,E,F1VHW0.73
ADNADENOSINEA,B,C,D,E,F1JDV0.73
ADNADENOSINEA,B1UAY0.73
ADNADENOSINEA1LIK0.73
ADNADENOSINEA,B,C,D3CE60.73
ADNADENOSINEA,B2EJG0.73
ADNADENOSINEA2PKM0.73
ADNADENOSINEA1YI40.73
ADNADENOSINEA1LII0.73
ADNADENOSINEA2EVA0.73
ADNADENOSINEA2Q6K0.73
ADNADENOSINEA1BX40.73
ADNADENOSINEA,B2AC70.73
ADNADENOSINEA,B2B8J0.73
ADNADENOSINEA2FQY0.73
ADNADENOSINEA1Z370.73
ADNADENOSINEA1MRJ0.73
ADNADENOSINEA,B,C1PK70.73
ADNADENOSINEA2PGF0.73
ADNADENOSINEA,B2ZGW0.73
ADNADENOSINEA,B,C,D1JG30.73
ADNADENOSINEA,B,C1WU80.73
ADNADENOSINEA,B,C,D1XWF0.73
ADNADENOSINEA,B,C,D1V8B0.73
ADNADENOSINEA3REQ0.73
ADNADENOSINEA,B2A8T0.73
ADNADENOSINEA1JG20.73
ADNADENOSINEA,B2Q830.73
ADNADENOSINEA,B2B820.73
ADNADENOSINEA,B,C,D,E,F2GL00.73
ADNADENOSINEA,B2W030.73
ADNADENOSINEA,B,C,D1D4F0.73
ADNADENOSINEA,B2OA10.73
ADNADENOSINEA1DGM0.73
ADNADENOSINEA,B,C,D,E,F1ODI0.73
ADNADENOSINEA3FUU0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.86
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZH0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.78
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.77
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.77
PURPURINE RIBOSIDEA1FKW0.73
PURPURINE RIBOSIDEA1UIP0.73
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
A2F2-fluoroadenineA3GOT0.84
A2F2-fluoroadenineA,B,C3GB90.84
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.86
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.71
DEAD-ERITADENINEA,B,C,D,E,F,
G,H		1K0U0.73
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.72
SRAA1D0T0.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1Z350.72
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A2PKK0.72
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C,D2ZJ00.72
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PK90.72
ADEADENINEA1WEI0.85
ADEADENINEA2QLU0.85
ADEADENINEA,B2H8G0.85
ADEADENINEA,B1HQC0.85
ADEADENINEA1AHA0.85
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.85
ADEADENINEA,B,D1YXM0.85
ADEADENINEA1CB00.85
ADEADENINEA,B2QTT0.85
ADEADENINEA,B,C1XE80.85
ADEADENINEA,B1M2T0.85
ADEADENINEA2P8N0.85
ADEADENINEA,B,C2PQJ0.85
ADEADENINEA,B,C1VRL0.85
ADEADENINEA,B3BSF0.85
ADEADENINEX1Y260.85
ADEADENINEA,B1ZN70.85
ADEADENINEA,B1Z5N0.85
ADEADENINEA1QB70.85
ADEADENINEA1LU10.85
ADEADENINEA,B1Q8Y0.85
ADEADENINEA2QES0.85
ADEADENINEA2PUB0.85
ADEADENINEA1Z8D0.85
ADEADENINEA1JH80.85
ADEADENINEA1QD20.85
ADEADENINEA2ICS0.85
ADEADENINEA1IFS0.85
ADEADENINEA1NLI0.85
ADEADENINEA,B1D2A0.85
ADEADENINEA1GIU0.85
ADEADENINEA1J1R0.85
ADEADENINEA2QET0.85
ADEADENINEA,B,C1OD40.85
ADEADENINEA,B1QCI0.85
ADEADENINEA,B,C,D,E,F2GA40.85
ADEADENINEA,B1JYS0.85
ADEADENINEA1LPD0.85
ADEADENINEA,B1OD20.85
ADEADENINEA1WTA0.85
ADEADENINEA,B,C1S2D0.85
ADEADENINEA1MUD0.85
ADEADENINEA2PUE0.85
MAOA1I720.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.86
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.78
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.71
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.73
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.79
9MG9-METHYLGUANINEA1RRW0.77
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
BCP2-BROMO-6-CHLORO-PURINEA1M660.78
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.78
3AD3'-DEOXYADENOSINEA,B3B4B0.74
3AD3'-DEOXYADENOSINEA,B3B4C0.74
3AD3'-DEOXYADENOSINEA,B1FA00.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.78
2BUA1U6C0.7
2BUA1U6O0.7
AP7A,B1U6P0.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.74
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.73
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.8
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
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.71
CL92-chloro-2'-deoxyadenosineA,B2ZI90.71
3DA3'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D2P7F0.7
3DA3'-DEOXYADENOSINE-5'-MONOPHOSPHATED,R1S770.7
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.77
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
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.79
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.79
BOA2-BROMO-6-HYDROXY-PURINEA1M670.8
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.77
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.71
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.71
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L		2A8Y0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.71
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.71
M1A6-AMINO-1-METHYLPURINEA1B420.82
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.79
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
6AP9H-PURINE-2,6-DIAMINEA2B570.85
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.77
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.77
NDM7,9-DIMETHYLGUANINEA1JSZ0.78
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.85