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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03409917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.75
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.73
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9A0.75
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9B0.75
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.75
YF12,5-DIMETHYLPYRIMIDIN-4-AMINEA,B,C,D1T9D0.71
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
A,B1T9B0.73
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
I1E800.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
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
M1A6-AMINO-1-METHYLPURINEA1B420.75
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
ADEADENINEA1WEI0.73
ADEADENINEA2QLU0.73
ADEADENINEA,B2H8G0.73
ADEADENINEA,B1HQC0.73
ADEADENINEA1AHA0.73
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.73
ADEADENINEA,B,D1YXM0.73
ADEADENINEA1CB00.73
ADEADENINEA,B2QTT0.73
ADEADENINEA,B,C1XE80.73
ADEADENINEA,B1M2T0.73
ADEADENINEA2P8N0.73
ADEADENINEA,B,C2PQJ0.73
ADEADENINEA,B,C1VRL0.73
ADEADENINEA,B3BSF0.73
ADEADENINEX1Y260.73
ADEADENINEA,B1ZN70.73
ADEADENINEA,B1Z5N0.73
ADEADENINEA1QB70.73
ADEADENINEA1LU10.73
ADEADENINEA,B1Q8Y0.73
ADEADENINEA2QES0.73
ADEADENINEA2PUB0.73
ADEADENINEA1Z8D0.73
ADEADENINEA1JH80.73
ADEADENINEA1QD20.73
ADEADENINEA2ICS0.73
ADEADENINEA1IFS0.73
ADEADENINEA1NLI0.73
ADEADENINEA,B1D2A0.73
ADEADENINEA1GIU0.73
ADEADENINEA1J1R0.73
ADEADENINEA2QET0.73
ADEADENINEA,B,C1OD40.73
ADEADENINEA,B1QCI0.73
ADEADENINEA,B,C,D,E,F2GA40.73
ADEADENINEA,B1JYS0.73
ADEADENINEA1LPD0.73
ADEADENINEA,B1OD20.73
ADEADENINEA1WTA0.73
ADEADENINEA,B,C1S2D0.73
ADEADENINEA1MUD0.73
ADEADENINEA2PUE0.73
4AB2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-
3-YL]-5,6,7,8-TETRAHYDROPTERIDINE
A,B1DWV0.74
301N6-(penta-2,3-dienyl)adenineA3BW70.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.78
MXD6-PIPERIDIN-1-YLPYRIMIDINE-2,4-
DIAMINE 3-OXIDE
A,B3B6H0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.71
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.76
PYD2,5-DIMETHYL-PYRIMIDIN-4-YLAMINEA4THI0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.8
DX36,7,7-trimethyl-7,8-dihydropteridine-
2,4-diamine
A,B,C,D3BMF0.76