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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00226581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.71
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.74
9MG9-METHYLGUANINEA1RRW0.71
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.84
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.74
PM69H-purine-6-thiolA,B3BGD0.93
BOA2-BROMO-6-HYDROXY-PURINEA1M670.73
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.89
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.86
ADEADENINEA1WEI0.92
ADEADENINEA2QLU0.92
ADEADENINEA,B2H8G0.92
ADEADENINEA,B1HQC0.92
ADEADENINEA1AHA0.92
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.92
ADEADENINEA,B,D1YXM0.92
ADEADENINEA1CB00.92
ADEADENINEA,B2QTT0.92
ADEADENINEA,B,C1XE80.92
ADEADENINEA,B1M2T0.92
ADEADENINEA2P8N0.92
ADEADENINEA,B,C2PQJ0.92
ADEADENINEA,B,C1VRL0.92
ADEADENINEA,B3BSF0.92
ADEADENINEX1Y260.92
ADEADENINEA,B1ZN70.92
ADEADENINEA,B1Z5N0.92
ADEADENINEA1QB70.92
ADEADENINEA1LU10.92
ADEADENINEA,B1Q8Y0.92
ADEADENINEA2QES0.92
ADEADENINEA2PUB0.92
ADEADENINEA1Z8D0.92
ADEADENINEA1JH80.92
ADEADENINEA1QD20.92
ADEADENINEA2ICS0.92
ADEADENINEA1IFS0.92
ADEADENINEA1NLI0.92
ADEADENINEA,B1D2A0.92
ADEADENINEA1GIU0.92
ADEADENINEA1J1R0.92
ADEADENINEA2QET0.92
ADEADENINEA,B,C1OD40.92
ADEADENINEA,B1QCI0.92
ADEADENINEA,B,C,D,E,F2GA40.92
ADEADENINEA,B1JYS0.92
ADEADENINEA1LPD0.92
ADEADENINEA,B1OD20.92
ADEADENINEA1WTA0.92
ADEADENINEA,B,C1S2D0.92
ADEADENINEA1MUD0.92
ADEADENINEA2PUE0.92
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.74
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.81
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.85
6MP6-METHYLPURINEA,B,C1OU40.83
6MP6-METHYLPURINEA,B,C1OTY0.83
6MP6-METHYLPURINEA2PUA0.83
M1A6-AMINO-1-METHYLPURINEA1B420.89
BCP2-BROMO-6-CHLORO-PURINEA1M660.83
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.83
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.72
2BP9H-purin-2-amineA3G4M0.83
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.82
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.78
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.71
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.75
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.8
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.85
6GU6-chloroguanineA3FO40.86
6GU6-chloroguanineA3GOG0.86
6GU6-chloroguanineA3GER0.86
301N6-(penta-2,3-dienyl)adenineA3BW70.8
BP16-BROMO-7H-PURINEA,B,C1S2I0.85
6AP9H-PURINE-2,6-DIAMINEA2B570.92
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.82
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.82
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
A2F2-fluoroadenineA3GOT0.9
A2F2-fluoroadenineA,B,C3GB90.9
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.71
XANXANTHINEA3GAO0.7
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.7
XANXANTHINEA,B,C,D,E,F1YR30.7
XANXANTHINEA2UZ90.7
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.7
XANXANTHINEA,B,C,D1A960.7