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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03809703

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.78
2BP9H-purin-2-amineA3G4M0.81
6MP6-METHYLPURINEA,B,C1OU40.81
6MP6-METHYLPURINEA,B,C1OTY0.81
6MP6-METHYLPURINEA2PUA0.81
3MA6-AMINO-3-METHYLPURINEA3MAG0.86
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.76
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
BOA2-BROMO-6-HYDROXY-PURINEA1M670.77
6GO6-O-methylguanineA3FO60.72
6GO6-O-methylguanineA3GES0.72
M1A6-AMINO-1-METHYLPURINEA1B420.86
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.95
BP16-BROMO-7H-PURINEA,B,C1S2I0.9
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.79
6AP9H-PURINE-2,6-DIAMINEA2B570.9
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
PM69H-purine-6-thiolA,B3BGD0.81
6GU6-chloroguanineA3FO40.96
6GU6-chloroguanineA3GOG0.96
6GU6-chloroguanineA3GER0.96
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.8
BCP2-BROMO-6-CHLORO-PURINEA1M661
BCP2-BROMO-6-CHLORO-PURINEA1N1G1
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.81
A2F2-fluoroadenineA3GOT0.88
A2F2-fluoroadenineA,B,C3GB90.88
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.76
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.74
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
ADEADENINEA1WEI0.9
ADEADENINEA2QLU0.9
ADEADENINEA,B2H8G0.9
ADEADENINEA,B1HQC0.9
ADEADENINEA1AHA0.9
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.9
ADEADENINEA,B,D1YXM0.9
ADEADENINEA1CB00.9
ADEADENINEA,B2QTT0.9
ADEADENINEA,B,C1XE80.9
ADEADENINEA,B1M2T0.9
ADEADENINEA2P8N0.9
ADEADENINEA,B,C2PQJ0.9
ADEADENINEA,B,C1VRL0.9
ADEADENINEA,B3BSF0.9
ADEADENINEX1Y260.9
ADEADENINEA,B1ZN70.9
ADEADENINEA,B1Z5N0.9
ADEADENINEA1QB70.9
ADEADENINEA1LU10.9
ADEADENINEA,B1Q8Y0.9
ADEADENINEA2QES0.9
ADEADENINEA2PUB0.9
ADEADENINEA1Z8D0.9
ADEADENINEA1JH80.9
ADEADENINEA1QD20.9
ADEADENINEA2ICS0.9
ADEADENINEA1IFS0.9
ADEADENINEA1NLI0.9
ADEADENINEA,B1D2A0.9
ADEADENINEA1GIU0.9
ADEADENINEA1J1R0.9
ADEADENINEA2QET0.9
ADEADENINEA,B,C1OD40.9
ADEADENINEA,B1QCI0.9
ADEADENINEA,B,C,D,E,F2GA40.9
ADEADENINEA,B1JYS0.9
ADEADENINEA1LPD0.9
ADEADENINEA,B1OD20.9
ADEADENINEA1WTA0.9
ADEADENINEA,B,C1S2D0.9
ADEADENINEA1MUD0.9
ADEADENINEA2PUE0.9