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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02376906

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.74
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.73
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.74
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.85
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.85
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
26A6N-DIMETHYLADENOSINEA2A9Y0.7
26A6N-DIMETHYLADENOSINEA2A9Z0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.85
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.72
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.7
301N6-(penta-2,3-dienyl)adenineA3BW70.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.71
6AP9H-PURINE-2,6-DIAMINEA2B570.83
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1Z350.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A2PKK0.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C,D2ZJ00.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PK90.7
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.74
103A,B,C1CUL0.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.91
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.78
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.79
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.75
NDM7,9-DIMETHYLGUANINEA1JSZ0.71
PM69H-purine-6-thiolA,B3BGD0.75
M1A6-AMINO-1-METHYLPURINEA1B420.85
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
A2F2-fluoroadenineA3GOT0.85
A2F2-fluoroadenineA,B,C3GB90.85
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.74
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.78
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
9MG9-METHYLGUANINEA1RRW0.77
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.72
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.71
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.82
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.73
6MP6-METHYLPURINEA,B,C1OU40.77
6MP6-METHYLPURINEA,B,C1OTY0.77
6MP6-METHYLPURINEA2PUA0.77
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.72
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.72
BP16-BROMO-7H-PURINEA,B,C1S2I0.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.82
6GU6-chloroguanineA3FO40.78
6GU6-chloroguanineA3GOG0.78
6GU6-chloroguanineA3GER0.78
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.76
ADEADENINEA1WEI0.83
ADEADENINEA2QLU0.83
ADEADENINEA,B2H8G0.83
ADEADENINEA,B1HQC0.83
ADEADENINEA1AHA0.83
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.83
ADEADENINEA,B,D1YXM0.83
ADEADENINEA1CB00.83
ADEADENINEA,B2QTT0.83
ADEADENINEA,B,C1XE80.83
ADEADENINEA,B1M2T0.83
ADEADENINEA2P8N0.83
ADEADENINEA,B,C2PQJ0.83
ADEADENINEA,B,C1VRL0.83
ADEADENINEA,B3BSF0.83
ADEADENINEX1Y260.83
ADEADENINEA,B1ZN70.83
ADEADENINEA,B1Z5N0.83
ADEADENINEA1QB70.83
ADEADENINEA1LU10.83
ADEADENINEA,B1Q8Y0.83
ADEADENINEA2QES0.83
ADEADENINEA2PUB0.83
ADEADENINEA1Z8D0.83
ADEADENINEA1JH80.83
ADEADENINEA1QD20.83
ADEADENINEA2ICS0.83
ADEADENINEA1IFS0.83
ADEADENINEA1NLI0.83
ADEADENINEA,B1D2A0.83
ADEADENINEA1GIU0.83
ADEADENINEA1J1R0.83
ADEADENINEA2QET0.83
ADEADENINEA,B,C1OD40.83
ADEADENINEA,B1QCI0.83
ADEADENINEA,B,C,D,E,F2GA40.83
ADEADENINEA,B1JYS0.83
ADEADENINEA1LPD0.83
ADEADENINEA,B1OD20.83
ADEADENINEA1WTA0.83
ADEADENINEA,B,C1S2D0.83
ADEADENINEA1MUD0.83
ADEADENINEA2PUE0.83
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.79
2BP9H-purin-2-amineA3G4M0.75
BCP2-BROMO-6-CHLORO-PURINEA1M660.75
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.75
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.71
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.79
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.9