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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439312

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.72
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.76
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.72
M1A6-AMINO-1-METHYLPURINEA1B420.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.72
A2F2-fluoroadenineA3GOT0.7
A2F2-fluoroadenineA,B,C3GB90.7
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.74
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.74
6AP9H-PURINE-2,6-DIAMINEA2B570.71
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.7
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.78
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
301N6-(penta-2,3-dienyl)adenineA3BW70.79
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.71
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
RRCR-ROSCOVITINEA,B,C,D3DDQ0.7
RRCR-ROSCOVITINEA1YGK0.7
RRCR-ROSCOVITINEA1UNL0.7
RRCR-ROSCOVITINEA2A4L0.7
6MP6-METHYLPURINEA,B,C1OU40.73
6MP6-METHYLPURINEA,B,C1OTY0.73
6MP6-METHYLPURINEA2PUA0.73
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.74
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.71
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
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.76