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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439305

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.91
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.91
BP16-BROMO-7H-PURINEA,B,C1S2I0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.77
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.83
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.89
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.71
2BP9H-purin-2-amineA3G4M0.79
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.83
6AP9H-PURINE-2,6-DIAMINEA2B570.82
9DA9-DEAZAADENINEA1L1R0.7
9DA9-DEAZAADENINEA1L1Q0.7
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.92
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.82
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.75
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
PM69H-purine-6-thiolA,B3BGD0.75
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.71
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.83
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.83
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.7
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.72
A2F2-fluoroadenineA3GOT0.81
A2F2-fluoroadenineA,B,C3GB90.81
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.76
ADEADENINEA1WEI0.82
ADEADENINEA2QLU0.82
ADEADENINEA,B2H8G0.82
ADEADENINEA,B1HQC0.82
ADEADENINEA1AHA0.82
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.82
ADEADENINEA,B,D1YXM0.82
ADEADENINEA1CB00.82
ADEADENINEA,B2QTT0.82
ADEADENINEA,B,C1XE80.82
ADEADENINEA,B1M2T0.82
ADEADENINEA2P8N0.82
ADEADENINEA,B,C2PQJ0.82
ADEADENINEA,B,C1VRL0.82
ADEADENINEA,B3BSF0.82
ADEADENINEX1Y260.82
ADEADENINEA,B1ZN70.82
ADEADENINEA,B1Z5N0.82
ADEADENINEA1QB70.82
ADEADENINEA1LU10.82
ADEADENINEA,B1Q8Y0.82
ADEADENINEA2QES0.82
ADEADENINEA2PUB0.82
ADEADENINEA1Z8D0.82
ADEADENINEA1JH80.82
ADEADENINEA1QD20.82
ADEADENINEA2ICS0.82
ADEADENINEA1IFS0.82
ADEADENINEA1NLI0.82
ADEADENINEA,B1D2A0.82
ADEADENINEA1GIU0.82
ADEADENINEA1J1R0.82
ADEADENINEA2QET0.82
ADEADENINEA,B,C1OD40.82
ADEADENINEA,B1QCI0.82
ADEADENINEA,B,C,D,E,F2GA40.82
ADEADENINEA,B1JYS0.82
ADEADENINEA1LPD0.82
ADEADENINEA,B1OD20.82
ADEADENINEA1WTA0.82
ADEADENINEA,B,C1S2D0.82
ADEADENINEA1MUD0.82
ADEADENINEA2PUE0.82
M1A6-AMINO-1-METHYLPURINEA1B420.82
BCP2-BROMO-6-CHLORO-PURINEA1M660.75
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.75
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.81
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.71
6GU6-chloroguanineA3FO40.77
6GU6-chloroguanineA3GOG0.77
6GU6-chloroguanineA3GER0.77