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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02491693

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP16-BROMO-7H-PURINEA,B,C1S2I0.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.78
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.78
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
A2F2-fluoroadenineA3GOT0.86
A2F2-fluoroadenineA,B,C3GB90.86
6AP9H-PURINE-2,6-DIAMINEA2B570.87
6MP6-METHYLPURINEA,B,C1OU40.79
6MP6-METHYLPURINEA,B,C1OTY0.79
6MP6-METHYLPURINEA2PUA0.79
BCP2-BROMO-6-CHLORO-PURINEA1M660.79
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.79
2BP9H-purin-2-amineA3G4M0.79
6GU6-chloroguanineA3FO40.82
6GU6-chloroguanineA3GOG0.82
6GU6-chloroguanineA3GER0.82
6GO6-O-methylguanineA3FO60.73
6GO6-O-methylguanineA3GES0.73
M1A6-AMINO-1-METHYLPURINEA1B420.84
3MA6-AMINO-3-METHYLPURINEA3MAG0.84
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.7
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.71
XANXANTHINEA,B,C,D1A960.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.7
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.7
301N6-(penta-2,3-dienyl)adenineA3BW70.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.79
BOA2-BROMO-6-HYDROXY-PURINEA1M670.71
PM69H-purine-6-thiolA,B3BGD0.79
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.8
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.77
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.71
ADEADENINEA1WEI0.87
ADEADENINEA2QLU0.87
ADEADENINEA,B2H8G0.87
ADEADENINEA,B1HQC0.87
ADEADENINEA1AHA0.87
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.87
ADEADENINEA,B,D1YXM0.87
ADEADENINEA1CB00.87
ADEADENINEA,B2QTT0.87
ADEADENINEA,B,C1XE80.87
ADEADENINEA,B1M2T0.87
ADEADENINEA2P8N0.87
ADEADENINEA,B,C2PQJ0.87
ADEADENINEA,B,C1VRL0.87
ADEADENINEA,B3BSF0.87
ADEADENINEX1Y260.87
ADEADENINEA,B1ZN70.87
ADEADENINEA,B1Z5N0.87
ADEADENINEA1QB70.87
ADEADENINEA1LU10.87
ADEADENINEA,B1Q8Y0.87
ADEADENINEA2QES0.87
ADEADENINEA2PUB0.87
ADEADENINEA1Z8D0.87
ADEADENINEA1JH80.87
ADEADENINEA1QD20.87
ADEADENINEA2ICS0.87
ADEADENINEA1IFS0.87
ADEADENINEA1NLI0.87
ADEADENINEA,B1D2A0.87
ADEADENINEA1GIU0.87
ADEADENINEA1J1R0.87
ADEADENINEA2QET0.87
ADEADENINEA,B,C1OD40.87
ADEADENINEA,B1QCI0.87
ADEADENINEA,B,C,D,E,F2GA40.87
ADEADENINEA,B1JYS0.87
ADEADENINEA1LPD0.87
ADEADENINEA,B1OD20.87
ADEADENINEA1WTA0.87
ADEADENINEA,B,C1S2D0.87
ADEADENINEA1MUD0.87
ADEADENINEA2PUE0.87
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.79
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.77