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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323435

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.86
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
ADI2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATEA1JX40.7
PM69H-purine-6-thiolA,B3BGD0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
MAOA1I720.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
XAD9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-
D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-
6-AMINE
A,B2H9S0.71
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
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.77
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.82
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
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
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
M1A6-AMINO-1-METHYLPURINEA1B420.79
6AP9H-PURINE-2,6-DIAMINEA2B570.77
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.79
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
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.76
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
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
BP16-BROMO-7H-PURINEA,B,C1S2I0.72
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
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.84
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.82
3MA6-AMINO-3-METHYLPURINEA3MAG0.79
26A6N-DIMETHYLADENOSINEA2A9Y0.71
26A6N-DIMETHYLADENOSINEA2A9Z0.71
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
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
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.71
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
2BP9H-purin-2-amineA3G4M0.73
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
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.73
103A,B,C1CUL0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.71
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.71
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
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.7
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.7