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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439304

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
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
OLOOLOMOUCINEA4ERK0.7
OLOOLOMOUCINEC1W0X0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.73
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.71
6AP9H-PURINE-2,6-DIAMINEA2B570.81
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.78
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.82
PM69H-purine-6-thiolA,B3BGD0.74
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.82
301N6-(penta-2,3-dienyl)adenineA3BW70.92
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.72
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.83
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.71
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.82
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.82
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.8
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.72
2BP9H-purin-2-amineA3G4M0.78
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.76
ADEADENINEA1WEI0.81
ADEADENINEA2QLU0.81
ADEADENINEA,B2H8G0.81
ADEADENINEA,B1HQC0.81
ADEADENINEA1AHA0.81
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.81
ADEADENINEA,B,D1YXM0.81
ADEADENINEA1CB00.81
ADEADENINEA,B2QTT0.81
ADEADENINEA,B,C1XE80.81
ADEADENINEA,B1M2T0.81
ADEADENINEA2P8N0.81
ADEADENINEA,B,C2PQJ0.81
ADEADENINEA,B,C1VRL0.81
ADEADENINEA,B3BSF0.81
ADEADENINEX1Y260.81
ADEADENINEA,B1ZN70.81
ADEADENINEA,B1Z5N0.81
ADEADENINEA1QB70.81
ADEADENINEA1LU10.81
ADEADENINEA,B1Q8Y0.81
ADEADENINEA2QES0.81
ADEADENINEA2PUB0.81
ADEADENINEA1Z8D0.81
ADEADENINEA1JH80.81
ADEADENINEA1QD20.81
ADEADENINEA2ICS0.81
ADEADENINEA1IFS0.81
ADEADENINEA1NLI0.81
ADEADENINEA,B1D2A0.81
ADEADENINEA1GIU0.81
ADEADENINEA1J1R0.81
ADEADENINEA2QET0.81
ADEADENINEA,B,C1OD40.81
ADEADENINEA,B1QCI0.81
ADEADENINEA,B,C,D,E,F2GA40.81
ADEADENINEA,B1JYS0.81
ADEADENINEA1LPD0.81
ADEADENINEA,B1OD20.81
ADEADENINEA1WTA0.81
ADEADENINEA,B,C1S2D0.81
ADEADENINEA1MUD0.81
ADEADENINEA2PUE0.81
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.76
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.71
M1A6-AMINO-1-METHYLPURINEA1B420.82
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.74
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.88
A2F2-fluoroadenineA3GOT0.8
A2F2-fluoroadenineA,B,C3GB90.8
6GU6-chloroguanineA3FO40.77
6GU6-chloroguanineA3GOG0.77
6GU6-chloroguanineA3GER0.77