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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250080

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
BP16-BROMO-7H-PURINEA,B,C1S2I0.71
GUNGUANINEA,B1IT70.78
GUNGUANINEA,B,C,D3BP10.78
GUNGUANINEA1XT40.78
GUNGUANINEA1ULB0.78
GUNGUANINEA,B2I9U0.78
GUNGUANINEA2JH90.78
GUNGUANINEE1V2H0.78
GUNGUANINEA2JHA0.78
GUNGUANINEA,B,C,D1A950.78
GUNGUANINEA,B,C1XE70.78
GUNGUANINEA,B,C1YQQ0.78
GUNGUANINEA,B1D6A0.78
GUNGUANINEA1WET0.78
GUNGUANINEA2PUF0.78
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.78
GUNGUANINEA,B,C1VMK0.78
GUNGUANINEA,B,C1YQU0.78
GUNGUANINEA2JHC0.78
GUNGUANINEA2JH80.78
GUNGUANINEA2JHP0.78
GUNGUANINEA2PUC0.78
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.78
GUNGUANINEA,B,C,D,E,F2O740.78
GUNGUANINEA2PWU0.78
GUNGUANINEA2OOD0.78
GUNGUANINEA2POT0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.74
6AP9H-PURINE-2,6-DIAMINEA2B570.76
8IG8-IODO-GUANINEA,B,C1C3X0.74
M1A6-AMINO-1-METHYLPURINEA1B420.74
3MA6-AMINO-3-METHYLPURINEA3MAG0.74
A2F2-fluoroadenineA3GOT0.75
A2F2-fluoroadenineA,B,C3GB90.75
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.77
4MZ4-METHYLIMIDAZOLEA1DTM0.7
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.7
4MZ4-METHYLIMIDAZOLEA2FNN0.7
4MZ4-METHYLIMIDAZOLEA1MOO0.7
4MZ4-METHYLIMIDAZOLEA1G0E0.7
ANG8-AMINOGUANINEA,C1M3Q0.75
ANG8-AMINOGUANINEA,E1LWV0.75
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.93
ADEADENINEA1WEI0.76
ADEADENINEA2QLU0.76
ADEADENINEA,B2H8G0.76
ADEADENINEA,B1HQC0.76
ADEADENINEA1AHA0.76
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.76
ADEADENINEA,B,D1YXM0.76
ADEADENINEA1CB00.76
ADEADENINEA,B2QTT0.76
ADEADENINEA,B,C1XE80.76
ADEADENINEA,B1M2T0.76
ADEADENINEA2P8N0.76
ADEADENINEA,B,C2PQJ0.76
ADEADENINEA,B,C1VRL0.76
ADEADENINEA,B3BSF0.76
ADEADENINEX1Y260.76
ADEADENINEA,B1ZN70.76
ADEADENINEA,B1Z5N0.76
ADEADENINEA1QB70.76
ADEADENINEA1LU10.76
ADEADENINEA,B1Q8Y0.76
ADEADENINEA2QES0.76
ADEADENINEA2PUB0.76
ADEADENINEA1Z8D0.76
ADEADENINEA1JH80.76
ADEADENINEA1QD20.76
ADEADENINEA2ICS0.76
ADEADENINEA1IFS0.76
ADEADENINEA1NLI0.76
ADEADENINEA,B1D2A0.76
ADEADENINEA1GIU0.76
ADEADENINEA1J1R0.76
ADEADENINEA2QET0.76
ADEADENINEA,B,C1OD40.76
ADEADENINEA,B1QCI0.76
ADEADENINEA,B,C,D,E,F2GA40.76
ADEADENINEA,B1JYS0.76
ADEADENINEA1LPD0.76
ADEADENINEA,B1OD20.76
ADEADENINEA1WTA0.76
ADEADENINEA,B,C1S2D0.76
ADEADENINEA1MUD0.76
ADEADENINEA2PUE0.76
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
BRG8-BROMOGUANINEA,E1LWW0.73
HPAHYPOXANTHINEA1PNR0.78
HPAHYPOXANTHINEA2EET0.78
HPAHYPOXANTHINEA2PUG0.78
HPAHYPOXANTHINEA1A9T0.78
HPAHYPOXANTHINEA1BDI0.78
HPAHYPOXANTHINEA1QQA0.78
HPAHYPOXANTHINEA1VFN0.78
HPAHYPOXANTHINEA1VPW0.78
HPAHYPOXANTHINEA2EEV0.78
HPAHYPOXANTHINEA1A9Q0.78
HPAHYPOXANTHINEA1A9R0.78
HPAHYPOXANTHINEA2EEU0.78
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.78
HPAHYPOXANTHINEA1JFT0.78
HPAHYPOXANTHINEA2EEW0.78
HPAHYPOXANTHINEA2PUD0.78
HPAHYPOXANTHINEA1QP70.78
HPAHYPOXANTHINEA,M1ZAY0.78
HPAHYPOXANTHINEA1JH90.78
HPAHYPOXANTHINEA2EES0.78
HPAHYPOXANTHINEA1JFS0.78
HPAHYPOXANTHINEA1QP00.78
HPAHYPOXANTHINEA1QPZ0.78
HPAHYPOXANTHINEA1U8D0.78
HPAHYPOXANTHINEA1QQB0.78
HPAHYPOXANTHINEA1BDH0.78
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.78
HPAHYPOXANTHINEA1QP40.78
HPAHYPOXANTHINEA,B,C3FNQ0.78
6GU6-chloroguanineA3FO40.72
6GU6-chloroguanineA3GOG0.72
6GU6-chloroguanineA3GER0.72