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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220778

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.74
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.7
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.7
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.7
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.7
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.7
PYD2,5-DIMETHYL-PYRIMIDIN-4-YLAMINEA4THI0.72
6MP6-METHYLPURINEA,B,C1OU40.76
6MP6-METHYLPURINEA,B,C1OTY0.76
6MP6-METHYLPURINEA2PUA0.76
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.73
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
6AP9H-PURINE-2,6-DIAMINEA2B570.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.73
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.78
9MG9-METHYLGUANINEA1RRW0.71
P1RPYRIMIDINEX2GTF0.72
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.76
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
A,B1T9B0.73
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
I1E800.73
PRNB1CL80.71
PRNB1U1L0.71
PRNB1U1N0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.75
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.71
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
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.79
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.8
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.81
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
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.88
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.72
M1A6-AMINO-1-METHYLPURINEA1B420.83
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
LGAPYRIMIDIN-2-AMINEA2JJC0.7
2BP9H-purin-2-amineA3G4M0.89
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.87
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.79
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
YF12,5-DIMETHYLPYRIMIDIN-4-AMINEA,B,C,D1T9D0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.71
3MA6-AMINO-3-METHYLPURINEA3MAG0.83
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7O0.7
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7P0.7
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7R0.7
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7Q0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.81
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74