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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329596

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A2O0L0.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT60.74
S4M5'-[(S)-(3-AMINOPROPYL)(METHYL)-
LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
A,B,C2PT90.74
SAMS-ADENOSYLMETHIONINEA2V3K0.7
SAMS-ADENOSYLMETHIONINEA,B3G8B0.7
SAMS-ADENOSYLMETHIONINEA,B1ZQ90.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1RG90.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,E,F2C2B0.7
SAMS-ADENOSYLMETHIONINEA,B2YY80.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,E,F2BM90.7
SAMS-ADENOSYLMETHIONINEA,B,C,D2OXT0.7
SAMS-ADENOSYLMETHIONINEA1N6C0.7
SAMS-ADENOSYLMETHIONINEA1NT20.7
SAMS-ADENOSYLMETHIONINEA3BWY0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,E,F3G070.7
SAMS-ADENOSYLMETHIONINEA1JG40.7
SAMS-ADENOSYLMETHIONINEA,B1XVA0.7
SAMS-ADENOSYLMETHIONINEA,B2NXE0.7
SAMS-ADENOSYLMETHIONINEA2OBV0.7
SAMS-ADENOSYLMETHIONINEA2F8L0.7
SAMS-ADENOSYLMETHIONINEA,B2NV40.7
SAMS-ADENOSYLMETHIONINEA1X1A0.7
SAMS-ADENOSYLMETHIONINEA,B,C1RQP0.7
SAMS-ADENOSYLMETHIONINEA,B1MJL0.7
SAMS-ADENOSYLMETHIONINEA1NW50.7
SAMS-ADENOSYLMETHIONINEA,B3BXO0.7
SAMS-ADENOSYLMETHIONINEA1V2X0.7
SAMS-ADENOSYLMETHIONINEA2HMA0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1KIA0.7
SAMS-ADENOSYLMETHIONINEX3DCM0.7
SAMS-ADENOSYLMETHIONINEA3DMF0.7
SAMS-ADENOSYLMETHIONINEA1OLT0.7
SAMS-ADENOSYLMETHIONINEA2NPN0.7
SAMS-ADENOSYLMETHIONINEA,B2NYU0.7
SAMS-ADENOSYLMETHIONINEA1HMY0.7
SAMS-ADENOSYLMETHIONINEA1VPT0.7
SAMS-ADENOSYLMETHIONINEA,B1N2X0.7
SAMS-ADENOSYLMETHIONINEA,B2ADM0.7
SAMS-ADENOSYLMETHIONINEA3H6L0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1P7L0.7
SAMS-ADENOSYLMETHIONINEA1VID0.7
SAMS-ADENOSYLMETHIONINEA,B2EGV0.7
SAMS-ADENOSYLMETHIONINEA3GCZ0.7
SAMS-ADENOSYLMETHIONINEC,D6MHT0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D2YVL0.7
SAMS-ADENOSYLMETHIONINEA3DXY0.7
SAMS-ADENOSYLMETHIONINEA1QAO0.7
SAMS-ADENOSYLMETHIONINEA,B3BWC0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D2A5H0.7
SAMS-ADENOSYLMETHIONINEA3ELU0.7
SAMS-ADENOSYLMETHIONINEA,B,C2H210.7
SAMS-ADENOSYLMETHIONINEA,B2G720.7
SAMS-ADENOSYLMETHIONINEA1NW30.7
SAMS-ADENOSYLMETHIONINEA,B1VQ10.7
SAMS-ADENOSYLMETHIONINEA,B3G890.7
SAMS-ADENOSYLMETHIONINEA,B2CL50.7
SAMS-ADENOSYLMETHIONINEA,B2OKC0.7
SAMS-ADENOSYLMETHIONINEA1I9G0.7
SAMS-ADENOSYLMETHIONINEA3BWM0.7
SAMS-ADENOSYLMETHIONINEA,B,C2V7U0.7
SAMS-ADENOSYLMETHIONINEA3DMH0.7
SAMS-ADENOSYLMETHIONINEA,B,C1MJ20.7
SAMS-ADENOSYLMETHIONINEA,B1NV80.7
SAMS-ADENOSYLMETHIONINEA,B3G2O0.7
SAMS-ADENOSYLMETHIONINEA,B3G880.7
SAMS-ADENOSYLMETHIONINEA,B1G600.7
SAMS-ADENOSYLMETHIONINEA,B,C1SG90.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,E,F,
H,I,J
3EEY0.7
SAMS-ADENOSYLMETHIONINEA2DPM0.7
SAMS-ADENOSYLMETHIONINEA2P020.7
SAMS-ADENOSYLMETHIONINEA,B1CMA0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1NBH0.7
SAMS-ADENOSYLMETHIONINEA3DLC0.7
SAMS-ADENOSYLMETHIONINEA3CB80.7
SAMS-ADENOSYLMETHIONINEA,B,C,D2E580.7
SAMS-ADENOSYLMETHIONINEA,B1X7P0.7
SAMS-ADENOSYLMETHIONINEA3DOU0.7
SAMS-ADENOSYLMETHIONINEA,B2Q6O0.7
SAMS-ADENOSYLMETHIONINEA1FPQ0.7
SAMS-ADENOSYLMETHIONINEA,B1TV80.7
SAMS-ADENOSYLMETHIONINEE,F2VDV0.7
SAMS-ADENOSYLMETHIONINEA,B2CDQ0.7
SAMS-ADENOSYLMETHIONINEA2ZTH0.7
SAMS-ADENOSYLMETHIONINEA3EMB0.7
SAMS-ADENOSYLMETHIONINEA,B2QE60.7
SAMS-ADENOSYLMETHIONINEA2B9E0.7
SAMS-ADENOSYLMETHIONINEA2ZBP0.7
SAMS-ADENOSYLMETHIONINEA3E230.7
SAMS-ADENOSYLMETHIONINEA1FPX0.7
SAMS-ADENOSYLMETHIONINEA2ZVJ0.7
SAMS-ADENOSYLMETHIONINEA1UAK0.7
SAMS-ADENOSYLMETHIONINEA,B2AVD0.7
SAMS-ADENOSYLMETHIONINEA2PXC0.7
SAMS-ADENOSYLMETHIONINEA,B1R300.7
SAMS-ADENOSYLMETHIONINEA,B2B250.7
SAMS-ADENOSYLMETHIONINEA,B1VE30.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,E,F2BR40.7
SAMS-ADENOSYLMETHIONINEA,B2G700.7
SAMS-ADENOSYLMETHIONINEA,B2GLU0.7
SAMS-ADENOSYLMETHIONINEA1H1D0.7
SAMS-ADENOSYLMETHIONINEA1N6A0.7
SAMS-ADENOSYLMETHIONINEA2R3A0.7
SAMS-ADENOSYLMETHIONINEA1EJ00.7
SAMS-ADENOSYLMETHIONINEA,B1WG80.7
SAMS-ADENOSYLMETHIONINEA,B,C1RJD0.7
SAMS-ADENOSYLMETHIONINEA1RI40.7
SAMS-ADENOSYLMETHIONINEA2PLW0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1NBI0.7
SAMS-ADENOSYLMETHIONINEA,B1P910.7
SAMS-ADENOSYLMETHIONINEA2UYQ0.7
SAMS-ADENOSYLMETHIONINEA2FK80.7
SAMS-ADENOSYLMETHIONINEB2HMY0.7
SAMS-ADENOSYLMETHIONINEA2GIS0.7
SAMS-ADENOSYLMETHIONINEA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.7
SAMS-ADENOSYLMETHIONINEA,B1CMC0.7
SAMS-ADENOSYLMETHIONINEA,B,C2IGT0.7
SAMS-ADENOSYLMETHIONINEA,B2QMM0.7
SAMS-ADENOSYLMETHIONINEA,B2Z0Y0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D1MJO0.7
SAMS-ADENOSYLMETHIONINEA,B2YQZ0.7
SAMS-ADENOSYLMETHIONINEA3CKK0.7
SAMS-ADENOSYLMETHIONINEA,B3GYQ0.7
SAMS-ADENOSYLMETHIONINEA,B,C2QWY0.7
SAMS-ADENOSYLMETHIONINEA,B2ZIF0.7
SAMS-ADENOSYLMETHIONINEA1MSK0.7
SAMS-ADENOSYLMETHIONINEA3ELW0.7
SAMS-ADENOSYLMETHIONINEA3E5C0.7
SAMS-ADENOSYLMETHIONINEA1EIZ0.7
SAMS-ADENOSYLMETHIONINEA,B2FB20.7
SAMS-ADENOSYLMETHIONINEA2YZQ0.7
SAMS-ADENOSYLMETHIONINEA1QZZ0.7
SAMS-ADENOSYLMETHIONINEA1SQF0.7
SAMS-ADENOSYLMETHIONINEA2EJT0.7
SAMS-ADENOSYLMETHIONINEA,B,C,D,G,H,
I,J
1MJQ0.7
SAMS-ADENOSYLMETHIONINEA,B1XDS0.7
SAMS-ADENOSYLMETHIONINEA,B3DH00.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
M1A6-AMINO-1-METHYLPURINEA1B420.77
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.78
S4AA,B2RMQ0.72
B325'-S-[2-(decylamino)ethyl]-5'-thioadenosineA3HA70.72
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2NP60.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C2IH50.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH20.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBS0.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F1G380.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C2NP70.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,C,D,F2IH40.73
NEA5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINEA,B,C,D,E,F2IBT0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
AAD(2-AMINOOXY-ETHYL)-[5-(6-AMINO-
PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-
FURAN-2-YLMETHYL]-METHYL-SULFONIUM
A1M4N0.72
M2T5'-deoxy-5'-(dimethyl-lambda~4~-
sulfanyl)adenosine
A,B3H0V0.73
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
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
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.77
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
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
3DH5'-S-ethyl-5'-thioadenosineA,B,C,D3DHY0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.78
PM69H-purine-6-thiolA,B3BGD0.79
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A,B,C1PR40.74
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AB80.74
MTP2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-
PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-
DIOL
A2AA00.74
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.77
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.81
6AP9H-PURINE-2,6-DIAMINEA2B570.73
MSG7-METHYL-6-THIO-GUANOSINEE1YRY0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76