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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00841244

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.84
PM69H-purine-6-thiolA,B3BGD0.72
301N6-(penta-2,3-dienyl)adenineA3BW70.86
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.74
6AP9H-PURINE-2,6-DIAMINEA2B570.79
CQW5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-
4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-
c]pyridine		A3CQW0.71
2BP9H-purin-2-amineA3G4M0.76
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM		A1Y8J0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.77
M1A6-AMINO-1-METHYLPURINEA1B420.77
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.71
6MP6-METHYLPURINEA,B,C1OU40.79
6MP6-METHYLPURINEA,B,C1OTY0.79
6MP6-METHYLPURINEA2PUA0.79
OLOOLOMOUCINEA4ERK0.72
OLOOLOMOUCINEC1W0X0.72
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.7
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.75
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine		A,B,C,D3C4E0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.8
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.72
ADEADENINEA1WEI0.79
ADEADENINEA2QLU0.79
ADEADENINEA,B2H8G0.79
ADEADENINEA,B1HQC0.79
ADEADENINEA1AHA0.79
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.79
ADEADENINEA,B,D1YXM0.79
ADEADENINEA1CB00.79
ADEADENINEA,B2QTT0.79
ADEADENINEA,B,C1XE80.79
ADEADENINEA,B1M2T0.79
ADEADENINEA2P8N0.79
ADEADENINEA,B,C2PQJ0.79
ADEADENINEA,B,C1VRL0.79
ADEADENINEA,B3BSF0.79
ADEADENINEX1Y260.79
ADEADENINEA,B1ZN70.79
ADEADENINEA,B1Z5N0.79
ADEADENINEA1QB70.79
ADEADENINEA1LU10.79
ADEADENINEA,B1Q8Y0.79
ADEADENINEA2QES0.79
ADEADENINEA2PUB0.79
ADEADENINEA1Z8D0.79
ADEADENINEA1JH80.79
ADEADENINEA1QD20.79
ADEADENINEA2ICS0.79
ADEADENINEA1IFS0.79
ADEADENINEA1NLI0.79
ADEADENINEA,B1D2A0.79
ADEADENINEA1GIU0.79
ADEADENINEA1J1R0.79
ADEADENINEA2QET0.79
ADEADENINEA,B,C1OD40.79
ADEADENINEA,B1QCI0.79
ADEADENINEA,B,C,D,E,F2GA40.79
ADEADENINEA,B1JYS0.79
ADEADENINEA1LPD0.79
ADEADENINEA,B1OD20.79
ADEADENINEA1WTA0.79
ADEADENINEA,B,C1S2D0.79
ADEADENINEA1MUD0.79
ADEADENINEA2PUE0.79
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.8
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.8
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.88
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.88
RRCR-ROSCOVITINEA,B,C,D3DDQ0.7
RRCR-ROSCOVITINEA1YGK0.7
RRCR-ROSCOVITINEA1UNL0.7
RRCR-ROSCOVITINEA2A4L0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.84
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.76
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
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.74
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.84
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.8