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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03741450

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
BCP2-BROMO-6-CHLORO-PURINEA1M660.76
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.76
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.8
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.7
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
ADEADENINEA1WEI0.84
ADEADENINEA2QLU0.84
ADEADENINEA,B2H8G0.84
ADEADENINEA,B1HQC0.84
ADEADENINEA1AHA0.84
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.84
ADEADENINEA,B,D1YXM0.84
ADEADENINEA1CB00.84
ADEADENINEA,B2QTT0.84
ADEADENINEA,B,C1XE80.84
ADEADENINEA,B1M2T0.84
ADEADENINEA2P8N0.84
ADEADENINEA,B,C2PQJ0.84
ADEADENINEA,B,C1VRL0.84
ADEADENINEA,B3BSF0.84
ADEADENINEX1Y260.84
ADEADENINEA,B1ZN70.84
ADEADENINEA,B1Z5N0.84
ADEADENINEA1QB70.84
ADEADENINEA1LU10.84
ADEADENINEA,B1Q8Y0.84
ADEADENINEA2QES0.84
ADEADENINEA2PUB0.84
ADEADENINEA1Z8D0.84
ADEADENINEA1JH80.84
ADEADENINEA1QD20.84
ADEADENINEA2ICS0.84
ADEADENINEA1IFS0.84
ADEADENINEA1NLI0.84
ADEADENINEA,B1D2A0.84
ADEADENINEA1GIU0.84
ADEADENINEA1J1R0.84
ADEADENINEA2QET0.84
ADEADENINEA,B,C1OD40.84
ADEADENINEA,B1QCI0.84
ADEADENINEA,B,C,D,E,F2GA40.84
ADEADENINEA,B1JYS0.84
ADEADENINEA1LPD0.84
ADEADENINEA,B1OD20.84
ADEADENINEA1WTA0.84
ADEADENINEA,B,C1S2D0.84
ADEADENINEA1MUD0.84
ADEADENINEA2PUE0.84
6GU6-chloroguanineA3FO40.79
6GU6-chloroguanineA3GOG0.79
6GU6-chloroguanineA3GER0.79
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.75
2BP9H-purin-2-amineA3G4M0.82
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.72
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
BP16-BROMO-7H-PURINEA,B,C1S2I0.78
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.75
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.77
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.8
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.8
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.81
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.81
M1A6-AMINO-1-METHYLPURINEA1B420.81
PM69H-purine-6-thiolA,B3BGD0.76
XANXANTHINEA3GAO0.72
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.72
XANXANTHINEA,B,C,D,E,F1YR30.72
XANXANTHINEA2UZ90.72
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.72
XANXANTHINEA,B,C,D1A960.72
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.76
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.76
6AP9H-PURINE-2,6-DIAMINEA2B570.84
301N6-(penta-2,3-dienyl)adenineA3BW70.8
4MZ4-METHYLIMIDAZOLEA1DTM0.73
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.73
4MZ4-METHYLIMIDAZOLEA2FNN0.73
4MZ4-METHYLIMIDAZOLEA1MOO0.73
4MZ4-METHYLIMIDAZOLEA1G0E0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.82
A2F2-fluoroadenineA3GOT0.82
A2F2-fluoroadenineA,B,C3GB90.82
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.81
6MP6-METHYLPURINEA,B,C1OU40.84
6MP6-METHYLPURINEA,B,C1OTY0.84
6MP6-METHYLPURINEA2PUA0.84
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.73
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.71
HSMHISTAMINEA,B1U180.72
HSMHISTAMINEA1AVN0.72
HSMHISTAMINEA,B1KAR0.72
HSMHISTAMINEA,B1NP10.72
HSMHISTAMINEA,B1JQD0.72
HSMHISTAMINEA,B2QEB0.72
HSMHISTAMINEA,B1QFV0.72
HSMHISTAMINEA1IKE0.72
HSMHISTAMINEA3BU10.72
HSMHISTAMINEA,B1QFT0.72