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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382240

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2BP9H-purin-2-amineA3G4M0.88
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.71
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.72
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.73
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
9DA9-DEAZAADENINEA1L1R0.74
9DA9-DEAZAADENINEA1L1Q0.74
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.74
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.84
PURPURINE RIBOSIDEA1FKW0.73
PURPURINE RIBOSIDEA1UIP0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
6AP9H-PURINE-2,6-DIAMINEA2B570.8
PM69H-purine-6-thiolA,B3BGD0.73
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
301N6-(penta-2,3-dienyl)adenineA3BW70.84
4MZ4-METHYLIMIDAZOLEA1DTM0.7
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.7
4MZ4-METHYLIMIDAZOLEA2FNN0.7
4MZ4-METHYLIMIDAZOLEA1MOO0.7
4MZ4-METHYLIMIDAZOLEA1G0E0.7
A2F2-fluoroadenineA3GOT0.79
A2F2-fluoroadenineA,B,C3GB90.79
M1A6-AMINO-1-METHYLPURINEA1B420.79
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.78
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.74
3MA6-AMINO-3-METHYLPURINEA3MAG0.79
BP16-BROMO-7H-PURINEA,B,C1S2I0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.83
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.83
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.73
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.73
HSMHISTAMINEA,B1U180.78
HSMHISTAMINEA1AVN0.78
HSMHISTAMINEA,B1KAR0.78
HSMHISTAMINEA,B1NP10.78
HSMHISTAMINEA,B1JQD0.78
HSMHISTAMINEA,B2QEB0.78
HSMHISTAMINEA,B1QFV0.78
HSMHISTAMINEA1IKE0.78
HSMHISTAMINEA3BU10.78
HSMHISTAMINEA,B1QFT0.78
CQW5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-
4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-
c]pyridine
A3CQW0.75
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.87
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.76
ADEADENINEA1WEI0.8
ADEADENINEA2QLU0.8
ADEADENINEA,B2H8G0.8
ADEADENINEA,B1HQC0.8
ADEADENINEA1AHA0.8
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.8
ADEADENINEA,B,D1YXM0.8
ADEADENINEA1CB00.8
ADEADENINEA,B2QTT0.8
ADEADENINEA,B,C1XE80.8
ADEADENINEA,B1M2T0.8
ADEADENINEA2P8N0.8
ADEADENINEA,B,C2PQJ0.8
ADEADENINEA,B,C1VRL0.8
ADEADENINEA,B3BSF0.8
ADEADENINEX1Y260.8
ADEADENINEA,B1ZN70.8
ADEADENINEA,B1Z5N0.8
ADEADENINEA1QB70.8
ADEADENINEA1LU10.8
ADEADENINEA,B1Q8Y0.8
ADEADENINEA2QES0.8
ADEADENINEA2PUB0.8
ADEADENINEA1Z8D0.8
ADEADENINEA1JH80.8
ADEADENINEA1QD20.8
ADEADENINEA2ICS0.8
ADEADENINEA1IFS0.8
ADEADENINEA1NLI0.8
ADEADENINEA,B1D2A0.8
ADEADENINEA1GIU0.8
ADEADENINEA1J1R0.8
ADEADENINEA2QET0.8
ADEADENINEA,B,C1OD40.8
ADEADENINEA,B1QCI0.8
ADEADENINEA,B,C,D,E,F2GA40.8
ADEADENINEA,B1JYS0.8
ADEADENINEA1LPD0.8
ADEADENINEA,B1OD20.8
ADEADENINEA1WTA0.8
ADEADENINEA,B,C1S2D0.8
ADEADENINEA1MUD0.8
ADEADENINEA2PUE0.8