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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439302

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.75
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
CQW5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-
4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-
c]pyridine		A3CQW0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.78
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.7
6AP9H-PURINE-2,6-DIAMINEA2B570.81
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.75
6GU6-chloroguanineA3FO40.76
6GU6-chloroguanineA3GOG0.76
6GU6-chloroguanineA3GER0.76
PM69H-purine-6-thiolA,B3BGD0.74
9DA9-DEAZAADENINEA1L1R0.7
9DA9-DEAZAADENINEA1L1Q0.7
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.89
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.82
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.7
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
6MP6-METHYLPURINEA,B,C1OU40.82
6MP6-METHYLPURINEA,B,C1OTY0.82
6MP6-METHYLPURINEA2PUA0.82
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.86
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
A2F2-fluoroadenineA3GOT0.79
A2F2-fluoroadenineA,B,C3GB90.79
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
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.72
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.79
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.85
2BP9H-purin-2-amineA3G4M0.78
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.71
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
M1A6-AMINO-1-METHYLPURINEA1B420.81
BP16-BROMO-7H-PURINEA,B,C1S2I0.75
BCP2-BROMO-6-CHLORO-PURINEA1M660.73
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.85
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.71
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.76
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.9
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.9