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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.85
PR5B2DD20.73
PR5B2DD10.73
PR5B2DD30.73
PR5A,B,C,D,E,F,
G,H
2B3J0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.75
2BP9H-purin-2-amineA3G4M0.88
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.7
6AP9H-PURINE-2,6-DIAMINEA2B570.79
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.85
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.75
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.7
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.74
5AD5'-DEOXYADENOSINEB1XRS0.74
5AD5'-DEOXYADENOSINEA,B,C2CC20.74
5AD5'-DEOXYADENOSINEA,B2FB30.74
5AD5'-DEOXYADENOSINEA3CI30.74
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.74
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine
A,B3DZ50.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.83
BOA2-BROMO-6-HYDROXY-PURINEA1M670.73
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.76
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.76
PF1N-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
A,B2QCX0.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.77
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L
2A8Y0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.7
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.7
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.73
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.73
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.73
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.73
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.73
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.7
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.7
PM69H-purine-6-thiolA,B3BGD0.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.7
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE
A,B1PWF0.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.82
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.79
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.73
7RA7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-
5'-PHOSPHATE
A1L5M0.74
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
9MG9-METHYLGUANINEA1RRW0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.83
ADNADENOSINEA2JC90.71
ADNADENOSINEA1PG20.71
ADNADENOSINEA,B,C2ZBV0.71
ADNADENOSINEA2DOJ0.71
ADNADENOSINEA,B,C,D1RMT0.71
ADNADENOSINEA,B2C490.71
ADNADENOSINEA,B,C,D3G1U0.71
ADNADENOSINEA,B1Q970.71
ADNADENOSINEA1N3Z0.71
ADNADENOSINEE1FMO0.71
ADNADENOSINEA,B1HO50.71
ADNADENOSINEA,B,C,D2ZBU0.71
ADNADENOSINEA1MRG0.71
ADNADENOSINEA,B,C2EJF0.71
ADNADENOSINEA1MUO0.71
ADNADENOSINEA,B,C,D,E,F1VHW0.71
ADNADENOSINEA,B,C,D,E,F1JDV0.71
ADNADENOSINEA,B1UAY0.71
ADNADENOSINEA1LIK0.71
ADNADENOSINEA,B,C,D3CE60.71
ADNADENOSINEA,B2EJG0.71
ADNADENOSINEA2PKM0.71
ADNADENOSINEA1YI40.71
ADNADENOSINEA1LII0.71
ADNADENOSINEA2EVA0.71
ADNADENOSINEA2Q6K0.71
ADNADENOSINEA1BX40.71
ADNADENOSINEA,B2AC70.71
ADNADENOSINEA,B2B8J0.71
ADNADENOSINEA2FQY0.71
ADNADENOSINEA1Z370.71
ADNADENOSINEA1MRJ0.71
ADNADENOSINEA,B,C1PK70.71
ADNADENOSINEA2PGF0.71
ADNADENOSINEA,B2ZGW0.71
ADNADENOSINEA,B,C,D1JG30.71
ADNADENOSINEA,B,C1WU80.71
ADNADENOSINEA,B,C,D1XWF0.71
ADNADENOSINEA,B,C,D1V8B0.71
ADNADENOSINEA3REQ0.71
ADNADENOSINEA,B2A8T0.71
ADNADENOSINEA1JG20.71
ADNADENOSINEA,B2Q830.71
ADNADENOSINEA,B2B820.71
ADNADENOSINEA,B,C,D,E,F2GL00.71
ADNADENOSINEA,B2W030.71
ADNADENOSINEA,B,C,D1D4F0.71
ADNADENOSINEA,B2OA10.71
ADNADENOSINEA1DGM0.71
ADNADENOSINEA,B,C,D,E,F1ODI0.71
ADNADENOSINEA3FUU0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.83
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.71
P2PN7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-
HYDROXYPURINE
A1JHR0.72
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,C1T0D0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
B,D2BCY0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,B,C3BBI0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,B,C3B910.74
P5PA,B1MV60.73
P5PA,B1MV10.73
P5PA,B1MV20.73
P5PB1XV00.73
P5PA1RBN0.73
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine
A,B3DZ60.71
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7O0.73
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7P0.73
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7R0.73
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7Q0.73
6MP6-METHYLPURINEA,B,C1OU40.77
6MP6-METHYLPURINEA,B,C1OTY0.77
6MP6-METHYLPURINEA2PUA0.77
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.76
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.72
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
DEAD-ERITADENINEA,B,C,D,E,F,
G,H
1K0U0.71
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
M1A6-AMINO-1-METHYLPURINEA1B420.81
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.77
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.78
AP7A,B1U6P0.72
NDM7,9-DIMETHYLGUANINEA1JSZ0.77
5724-[2-(HYDROXYMETHYL)PYRIMIDIN-4-
YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE
A,B,C,D1PL60.72
MAOA1I720.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B2Z3K0.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PR60.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1ZTF0.71
301N6-(penta-2,3-dienyl)adenineA3BW70.8
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.7
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.71
3AD3'-DEOXYADENOSINEA,B3B4B0.72
3AD3'-DEOXYADENOSINEA,B3B4C0.72
3AD3'-DEOXYADENOSINEA,B1FA00.72
PURPURINE RIBOSIDEA1FKW0.8
PURPURINE RIBOSIDEA1UIP0.8
7RP7-ALPHA-D-RIBOFURANOSYL-PURINE-
5'-PHOSPHATE
A1L5L0.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.75
PRNB1CL80.72
PRNB1U1L0.72
PRNB1U1N0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.75
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B,C1PW70.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B3GLQ0.71
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.76
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.76
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.8