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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064925

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.81
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
A2F2-fluoroadenineA3GOT0.7
A2F2-fluoroadenineA,B,C3GB90.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.73
6AP9H-PURINE-2,6-DIAMINEA2B570.71
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2IZT0.71
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A2CDZ0.71
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE		A,B2F570.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.74
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
I242-butoxy-9-(2,6-difluorobenzyl)-
N-(2-morpholin-4-ylethyl)-9H-purin-
6-amine		A,B2VVT0.72
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.84
OLOOLOMOUCINEA4ERK0.73
OLOOLOMOUCINEC1W0X0.73
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.72
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.73
M1A6-AMINO-1-METHYLPURINEA1B420.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.77
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.78
RRCR-ROSCOVITINEA,B,C,D3DDQ0.72
RRCR-ROSCOVITINEA1YGK0.72
RRCR-ROSCOVITINEA1UNL0.72
RRCR-ROSCOVITINEA2A4L0.72
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.71
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE		A1G5S0.77
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine		A2R3L0.71
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.72
2BP9H-purin-2-amineA3G4M0.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID		A,B2BDF0.7
301N6-(penta-2,3-dienyl)adenineA3BW70.79
ADEADENINEA1WEI0.71
ADEADENINEA2QLU0.71
ADEADENINEA,B2H8G0.71
ADEADENINEA,B1HQC0.71
ADEADENINEA1AHA0.71
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.71
ADEADENINEA,B,D1YXM0.71
ADEADENINEA1CB00.71
ADEADENINEA,B2QTT0.71
ADEADENINEA,B,C1XE80.71
ADEADENINEA,B1M2T0.71
ADEADENINEA2P8N0.71
ADEADENINEA,B,C2PQJ0.71
ADEADENINEA,B,C1VRL0.71
ADEADENINEA,B3BSF0.71
ADEADENINEX1Y260.71
ADEADENINEA,B1ZN70.71
ADEADENINEA,B1Z5N0.71
ADEADENINEA1QB70.71
ADEADENINEA1LU10.71
ADEADENINEA,B1Q8Y0.71
ADEADENINEA2QES0.71
ADEADENINEA2PUB0.71
ADEADENINEA1Z8D0.71
ADEADENINEA1JH80.71
ADEADENINEA1QD20.71
ADEADENINEA2ICS0.71
ADEADENINEA1IFS0.71
ADEADENINEA1NLI0.71
ADEADENINEA,B1D2A0.71
ADEADENINEA1GIU0.71
ADEADENINEA1J1R0.71
ADEADENINEA2QET0.71
ADEADENINEA,B,C1OD40.71
ADEADENINEA,B1QCI0.71
ADEADENINEA,B,C,D,E,F2GA40.71
ADEADENINEA,B1JYS0.71
ADEADENINEA1LPD0.71
ADEADENINEA,B1OD20.71
ADEADENINEA1WTA0.71
ADEADENINEA,B,C1S2D0.71
ADEADENINEA1MUD0.71
ADEADENINEA2PUE0.71
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.71
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.71
6MP6-METHYLPURINEA,B,C1OU40.73
6MP6-METHYLPURINEA,B,C1OTY0.73
6MP6-METHYLPURINEA2PUA0.73
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.71
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.79
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.71
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine		A3CGF0.71
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol		A,C3DDP0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.8