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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
4MZ4-METHYLIMIDAZOLEA1DTM0.76
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.76
4MZ4-METHYLIMIDAZOLEA2FNN0.76
4MZ4-METHYLIMIDAZOLEA1MOO0.76
4MZ4-METHYLIMIDAZOLEA1G0E0.76
BP16-BROMO-7H-PURINEA,B,C1S2I0.71
GUNGUANINEA,B1IT70.72
GUNGUANINEA,B,C,D3BP10.72
GUNGUANINEA1XT40.72
GUNGUANINEA1ULB0.72
GUNGUANINEA,B2I9U0.72
GUNGUANINEA2JH90.72
GUNGUANINEE1V2H0.72
GUNGUANINEA2JHA0.72
GUNGUANINEA,B,C,D1A950.72
GUNGUANINEA,B,C1XE70.72
GUNGUANINEA,B,C1YQQ0.72
GUNGUANINEA,B1D6A0.72
GUNGUANINEA1WET0.72
GUNGUANINEA2PUF0.72
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.72
GUNGUANINEA,B,C1VMK0.72
GUNGUANINEA,B,C1YQU0.72
GUNGUANINEA2JHC0.72
GUNGUANINEA2JH80.72
GUNGUANINEA2JHP0.72
GUNGUANINEA2PUC0.72
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.72
GUNGUANINEA,B,C,D,E,F2O740.72
GUNGUANINEA2PWU0.72
GUNGUANINEA2OOD0.72
GUNGUANINEA2POT0.72
ADEADENINEA1WEI0.77
ADEADENINEA2QLU0.77
ADEADENINEA,B2H8G0.77
ADEADENINEA,B1HQC0.77
ADEADENINEA1AHA0.77
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.77
ADEADENINEA,B,D1YXM0.77
ADEADENINEA1CB00.77
ADEADENINEA,B2QTT0.77
ADEADENINEA,B,C1XE80.77
ADEADENINEA,B1M2T0.77
ADEADENINEA2P8N0.77
ADEADENINEA,B,C2PQJ0.77
ADEADENINEA,B,C1VRL0.77
ADEADENINEA,B3BSF0.77
ADEADENINEX1Y260.77
ADEADENINEA,B1ZN70.77
ADEADENINEA,B1Z5N0.77
ADEADENINEA1QB70.77
ADEADENINEA1LU10.77
ADEADENINEA,B1Q8Y0.77
ADEADENINEA2QES0.77
ADEADENINEA2PUB0.77
ADEADENINEA1Z8D0.77
ADEADENINEA1JH80.77
ADEADENINEA1QD20.77
ADEADENINEA2ICS0.77
ADEADENINEA1IFS0.77
ADEADENINEA1NLI0.77
ADEADENINEA,B1D2A0.77
ADEADENINEA1GIU0.77
ADEADENINEA1J1R0.77
ADEADENINEA2QET0.77
ADEADENINEA,B,C1OD40.77
ADEADENINEA,B1QCI0.77
ADEADENINEA,B,C,D,E,F2GA40.77
ADEADENINEA,B1JYS0.77
ADEADENINEA1LPD0.77
ADEADENINEA,B1OD20.77
ADEADENINEA1WTA0.77
ADEADENINEA,B,C1S2D0.77
ADEADENINEA1MUD0.77
ADEADENINEA2PUE0.77
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.73
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.74
HSMHISTAMINEA,B1U180.71
HSMHISTAMINEA1AVN0.71
HSMHISTAMINEA,B1KAR0.71
HSMHISTAMINEA,B1NP10.71
HSMHISTAMINEA,B1JQD0.71
HSMHISTAMINEA,B2QEB0.71
HSMHISTAMINEA,B1QFV0.71
HSMHISTAMINEA1IKE0.71
HSMHISTAMINEA3BU10.71
HSMHISTAMINEA,B1QFT0.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.75
A2F2-fluoroadenineA3GOT0.75
A2F2-fluoroadenineA,B,C3GB90.75
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.77
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.72
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.87
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.81
6AP9H-PURINE-2,6-DIAMINEA2B570.77
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.72
M1A6-AMINO-1-METHYLPURINEA1B420.81
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
HPAHYPOXANTHINEA1PNR0.72
HPAHYPOXANTHINEA2EET0.72
HPAHYPOXANTHINEA2PUG0.72
HPAHYPOXANTHINEA1A9T0.72
HPAHYPOXANTHINEA1BDI0.72
HPAHYPOXANTHINEA1QQA0.72
HPAHYPOXANTHINEA1VFN0.72
HPAHYPOXANTHINEA1VPW0.72
HPAHYPOXANTHINEA2EEV0.72
HPAHYPOXANTHINEA1A9Q0.72
HPAHYPOXANTHINEA1A9R0.72
HPAHYPOXANTHINEA2EEU0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.72
HPAHYPOXANTHINEA1JFT0.72
HPAHYPOXANTHINEA2EEW0.72
HPAHYPOXANTHINEA2PUD0.72
HPAHYPOXANTHINEA1QP70.72
HPAHYPOXANTHINEA,M1ZAY0.72
HPAHYPOXANTHINEA1JH90.72
HPAHYPOXANTHINEA2EES0.72
HPAHYPOXANTHINEA1JFS0.72
HPAHYPOXANTHINEA1QP00.72
HPAHYPOXANTHINEA1QPZ0.72
HPAHYPOXANTHINEA1U8D0.72
HPAHYPOXANTHINEA1QQB0.72
HPAHYPOXANTHINEA1BDH0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.72
HPAHYPOXANTHINEA1QP40.72
HPAHYPOXANTHINEA,B,C3FNQ0.72
6GU6-chloroguanineA3FO40.72
6GU6-chloroguanineA3GOG0.72
6GU6-chloroguanineA3GER0.72