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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00064365

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.77
BOA2-BROMO-6-HYDROXY-PURINEA1M670.7
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
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.94
6AP9H-PURINE-2,6-DIAMINEA2B570.88
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.85
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.85
A2F2-fluoroadenineA3GOT0.86
A2F2-fluoroadenineA,B,C3GB90.86
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.86
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.86
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.75
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.75
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.86
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.73
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.73
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.79
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.7
AD22'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATEA,C1L2B0.7
6GU6-chloroguanineA3FO40.82
6GU6-chloroguanineA3GOG0.82
6GU6-chloroguanineA3GER0.82
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.78
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.72
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.84
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.73
103A,B,C1CUL0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.75
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.7
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.7
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
BP16-BROMO-7H-PURINEA,B,C1S2I0.82
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
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.72
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.72
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.72
2BP9H-purin-2-amineA3G4M0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.78
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
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
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.88
6GO6-O-methylguanineA3FO60.71
6GO6-O-methylguanineA3GES0.71
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
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.8
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.71
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE
A2A7Q0.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
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
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.77
M1A6-AMINO-1-METHYLPURINEA1B420.88
ADI2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATEA1JX40.71
ADEADENINEA1WEI0.88
ADEADENINEA2QLU0.88
ADEADENINEA,B2H8G0.88
ADEADENINEA,B1HQC0.88
ADEADENINEA1AHA0.88
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.88
ADEADENINEA,B,D1YXM0.88
ADEADENINEA1CB00.88
ADEADENINEA,B2QTT0.88
ADEADENINEA,B,C1XE80.88
ADEADENINEA,B1M2T0.88
ADEADENINEA2P8N0.88
ADEADENINEA,B,C2PQJ0.88
ADEADENINEA,B,C1VRL0.88
ADEADENINEA,B3BSF0.88
ADEADENINEX1Y260.88
ADEADENINEA,B1ZN70.88
ADEADENINEA,B1Z5N0.88
ADEADENINEA1QB70.88
ADEADENINEA1LU10.88
ADEADENINEA,B1Q8Y0.88
ADEADENINEA2QES0.88
ADEADENINEA2PUB0.88
ADEADENINEA1Z8D0.88
ADEADENINEA1JH80.88
ADEADENINEA1QD20.88
ADEADENINEA2ICS0.88
ADEADENINEA1IFS0.88
ADEADENINEA1NLI0.88
ADEADENINEA,B1D2A0.88
ADEADENINEA1GIU0.88
ADEADENINEA1J1R0.88
ADEADENINEA2QET0.88
ADEADENINEA,B,C1OD40.88
ADEADENINEA,B1QCI0.88
ADEADENINEA,B,C,D,E,F2GA40.88
ADEADENINEA,B1JYS0.88
ADEADENINEA1LPD0.88
ADEADENINEA,B1OD20.88
ADEADENINEA1WTA0.88
ADEADENINEA,B,C1S2D0.88
ADEADENINEA1MUD0.88
ADEADENINEA2PUE0.88
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.97
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.77
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.73
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
3AD3'-DEOXYADENOSINEA,B3B4B0.72
3AD3'-DEOXYADENOSINEA,B3B4C0.72
3AD3'-DEOXYADENOSINEA,B1FA00.72
XAD9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-
D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-
6-AMINE
A,B2H9S0.7
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.7
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
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.76
PM69H-purine-6-thiolA,B3BGD0.8
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
301N6-(penta-2,3-dienyl)adenineA3BW70.82
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74