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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03407430

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
M1A6-AMINO-1-METHYLPURINEA1B420.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.72
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.71
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.72
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.72
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.75
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B1Z5O0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3B7P0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6M0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA3FUW0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C3FUX0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C2HTE0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C1JDT0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1CG60.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O060.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA2IPX0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D2E5W0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2YY80.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D,E,F,
G,H,I,J,K,L
2A8Y0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA1EG20.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B,C,D3C6K0.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O070.72
MTA5'-DEOXY-5'-METHYLTHIOADENOSINEA,B2O050.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.71
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.71
S4AA,B2RMQ0.71
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
6MP6-METHYLPURINEA,B,C1OU40.7
6MP6-METHYLPURINEA,B,C1OTY0.7
6MP6-METHYLPURINEA2PUA0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
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
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.76
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.76
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.71
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.71
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.76
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.73