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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02312582

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYD2,5-DIMETHYL-PYRIMIDIN-4-YLAMINEA4THI0.72
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9A0.74
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9B0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.73
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.84
PURPURINE RIBOSIDEA1FKW0.72
PURPURINE RIBOSIDEA1UIP0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.8
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
6AP9H-PURINE-2,6-DIAMINEA2B570.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.7
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.7
PM69H-purine-6-thiolA,B3BGD0.73
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.85
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
A,B1T9B0.74
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
I1E800.74
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7O0.71
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7P0.71
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7R0.71
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7Q0.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.73
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
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.8
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.82
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.71
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.8
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.8
301N6-(penta-2,3-dienyl)adenineA3BW70.81
6MP6-METHYLPURINEA,B,C1OU40.77
6MP6-METHYLPURINEA,B,C1OTY0.77
6MP6-METHYLPURINEA2PUA0.77
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.81
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.77
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.83
M1A6-AMINO-1-METHYLPURINEA1B420.83
BCP2-BROMO-6-CHLORO-PURINEA1M660.73
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.83
2BP9H-purin-2-amineA3G4M0.89
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.79
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.74
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7
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,D2FLH0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.76
3MA6-AMINO-3-METHYLPURINEA3MAG0.83
ADEADENINEA1WEI0.8
ADEADENINEA2QLU0.8
ADEADENINEA,B2H8G0.8
ADEADENINEA,B1HQC0.8
ADEADENINEA1AHA0.8
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.8
ADEADENINEA,B,D1YXM0.8
ADEADENINEA1CB00.8
ADEADENINEA,B2QTT0.8
ADEADENINEA,B,C1XE80.8
ADEADENINEA,B1M2T0.8
ADEADENINEA2P8N0.8
ADEADENINEA,B,C2PQJ0.8
ADEADENINEA,B,C1VRL0.8
ADEADENINEA,B3BSF0.8
ADEADENINEX1Y260.8
ADEADENINEA,B1ZN70.8
ADEADENINEA,B1Z5N0.8
ADEADENINEA1QB70.8
ADEADENINEA1LU10.8
ADEADENINEA,B1Q8Y0.8
ADEADENINEA2QES0.8
ADEADENINEA2PUB0.8
ADEADENINEA1Z8D0.8
ADEADENINEA1JH80.8
ADEADENINEA1QD20.8
ADEADENINEA2ICS0.8
ADEADENINEA1IFS0.8
ADEADENINEA1NLI0.8
ADEADENINEA,B1D2A0.8
ADEADENINEA1GIU0.8
ADEADENINEA1J1R0.8
ADEADENINEA2QET0.8
ADEADENINEA,B,C1OD40.8
ADEADENINEA,B1QCI0.8
ADEADENINEA,B,C,D,E,F2GA40.8
ADEADENINEA,B1JYS0.8
ADEADENINEA1LPD0.8
ADEADENINEA,B1OD20.8
ADEADENINEA1WTA0.8
ADEADENINEA,B,C1S2D0.8
ADEADENINEA1MUD0.8
ADEADENINEA2PUE0.8