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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DX36,7,7-trimethyl-7,8-dihydropteridine-
2,4-diamine
A,B,C,D3BMF0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.74
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
YF12,5-DIMETHYLPYRIMIDIN-4-AMINEA,B,C,D1T9D0.83
P1RPYRIMIDINEX2GTF0.77
LG3PYRIMIDINE-2,4-DIAMINEA2EUN0.84
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.71
3MA6-AMINO-3-METHYLPURINEA3MAG0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.73
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.74
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
A,B1T9B0.85
NSP5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-
4-AMINE
I1E800.85
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
LGAPYRIMIDIN-2-AMINEA2JJC0.79
5724-[2-(HYDROXYMETHYL)PYRIMIDIN-4-
YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE
A,B,C,D1PL60.71
AYDA,B1N0H0.72
M1A6-AMINO-1-METHYLPURINEA1B420.73
2BP9H-purin-2-amineA3G4M0.83
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
MP5(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATEA,B3EPO0.71
MP5(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATEA,B,C,D1RTW0.71
6MP6-METHYLPURINEA,B,C1OU40.7
6MP6-METHYLPURINEA,B,C1OTY0.7
6MP6-METHYLPURINEA2PUA0.7
A2F2-fluoroadenineA3GOT0.71
A2F2-fluoroadenineA,B,C3GB90.71
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.76
3AYPYRIMIDINE-2,4,6-TRIAMINEA2G9C0.73
3AYPYRIMIDINE-2,4,6-TRIAMINEX2RBX0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.71
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B1JXI0.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B1TO90.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B2Q4X0.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B3EPM0.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B,C,D1YAK0.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B,C,D2GM80.73
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B2F2G0.73
PYD2,5-DIMETHYL-PYRIMIDIN-4-YLAMINEA4THI0.83
6AP9H-PURINE-2,6-DIAMINEA2B570.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.71
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.81
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9A0.81
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9B0.81
PF1N-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
A,B2QCX0.71