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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00917417

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
PURPURINE RIBOSIDEA1FKW0.7
PURPURINE RIBOSIDEA1UIP0.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.74
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
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
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
6GU6-chloroguanineA3FO40.83
6GU6-chloroguanineA3GOG0.83
6GU6-chloroguanineA3GER0.83
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
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
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.73
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.9
BCP2-BROMO-6-CHLORO-PURINEA1M660.8
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.8
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.89
MAOA1I720.7
A40A1D350.7
A40A2D340.7
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
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE
A,B2KAL0.7
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE
B1UAB0.7
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
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
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
103A,B,C1CUL0.72
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.82
M1A6-AMINO-1-METHYLPURINEA1B420.89
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.89
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.89
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.72
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.72
AP7A,B1U6P0.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.8
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.86
ADEADENINEA1WEI0.89
ADEADENINEA2QLU0.89
ADEADENINEA,B2H8G0.89
ADEADENINEA,B1HQC0.89
ADEADENINEA1AHA0.89
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.89
ADEADENINEA,B,D1YXM0.89
ADEADENINEA1CB00.89
ADEADENINEA,B2QTT0.89
ADEADENINEA,B,C1XE80.89
ADEADENINEA,B1M2T0.89
ADEADENINEA2P8N0.89
ADEADENINEA,B,C2PQJ0.89
ADEADENINEA,B,C1VRL0.89
ADEADENINEA,B3BSF0.89
ADEADENINEX1Y260.89
ADEADENINEA,B1ZN70.89
ADEADENINEA,B1Z5N0.89
ADEADENINEA1QB70.89
ADEADENINEA1LU10.89
ADEADENINEA,B1Q8Y0.89
ADEADENINEA2QES0.89
ADEADENINEA2PUB0.89
ADEADENINEA1Z8D0.89
ADEADENINEA1JH80.89
ADEADENINEA1QD20.89
ADEADENINEA2ICS0.89
ADEADENINEA1IFS0.89
ADEADENINEA1NLI0.89
ADEADENINEA,B1D2A0.89
ADEADENINEA1GIU0.89
ADEADENINEA1J1R0.89
ADEADENINEA2QET0.89
ADEADENINEA,B,C1OD40.89
ADEADENINEA,B1QCI0.89
ADEADENINEA,B,C,D,E,F2GA40.89
ADEADENINEA,B1JYS0.89
ADEADENINEA1LPD0.89
ADEADENINEA,B1OD20.89
ADEADENINEA1WTA0.89
ADEADENINEA,B,C1S2D0.89
ADEADENINEA1MUD0.89
ADEADENINEA2PUE0.89
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
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
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.73
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE
A,B1PWF0.71
6MCCIS-N6-METHYL-DEOXY-ADENOSINE-5'-
MONOPHOSPHATE
B1OQ20.7
BOA2-BROMO-6-HYDROXY-PURINEA1M670.71
6GO6-O-methylguanineA3FO60.71
6GO6-O-methylguanineA3GES0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.8
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.83
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA8ICU0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJV0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1ZYQ0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA1KEJ0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P1SKR0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJT0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C,P,Q1SL00.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEP2IMW0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,C1CJU0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,T2BQU0.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,P,T1SL20.71
DAD2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATEA,B1QSY0.71
PM69H-purine-6-thiolA,B3BGD0.81
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.8
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.74
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.74
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.71
CL92-chloro-2'-deoxyadenosineA,B2ZI90.71
ADI2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATEA1JX40.71
A2F2-fluoroadenineA3GOT0.87
A2F2-fluoroadenineA,B,C3GB90.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.71
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
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.83
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.81
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.82
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.82
2BP9H-purin-2-amineA3G4M0.84
301N6-(penta-2,3-dienyl)adenineA3BW70.83
6AP9H-PURINE-2,6-DIAMINEA2B570.89
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.91
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
6MP6-METHYLPURINEA,B,C1OU40.84
6MP6-METHYLPURINEA,B,C1OTY0.84
6MP6-METHYLPURINEA2PUA0.84
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
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.78
A43A,B,C,D,E,F363D0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74