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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02818836

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)adenineA3BW70.7
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
PM69H-purine-6-thiolA,B3BGD0.72
GUNGUANINEA,B1IT70.77
GUNGUANINEA,B,C,D3BP10.77
GUNGUANINEA1XT40.77
GUNGUANINEA1ULB0.77
GUNGUANINEA,B2I9U0.77
GUNGUANINEA2JH90.77
GUNGUANINEE1V2H0.77
GUNGUANINEA2JHA0.77
GUNGUANINEA,B,C,D1A950.77
GUNGUANINEA,B,C1XE70.77
GUNGUANINEA,B,C1YQQ0.77
GUNGUANINEA,B1D6A0.77
GUNGUANINEA1WET0.77
GUNGUANINEA2PUF0.77
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.77
GUNGUANINEA,B,C1VMK0.77
GUNGUANINEA,B,C1YQU0.77
GUNGUANINEA2JHC0.77
GUNGUANINEA2JH80.77
GUNGUANINEA2JHP0.77
GUNGUANINEA2PUC0.77
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.77
GUNGUANINEA,B,C,D,E,F2O740.77
GUNGUANINEA2PWU0.77
GUNGUANINEA2OOD0.77
GUNGUANINEA2POT0.77
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.74
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.74
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.73
6AP9H-PURINE-2,6-DIAMINEA2B570.76
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
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.71
6GU6-chloroguanineA3FO40.71
6GU6-chloroguanineA3GOG0.71
6GU6-chloroguanineA3GER0.71
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
A2F2-fluoroadenineA3GOT0.74
A2F2-fluoroadenineA,B,C3GB90.74
M1A6-AMINO-1-METHYLPURINEA1B420.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.73
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.92
BP16-BROMO-7H-PURINEA,B,C1S2I0.7
2BP9H-purin-2-amineA3G4M0.72
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
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.82
6MP6-METHYLPURINEA,B,C1OU40.73
6MP6-METHYLPURINEA,B,C1OTY0.73
6MP6-METHYLPURINEA2PUA0.73
4MZ4-METHYLIMIDAZOLEA1DTM0.75
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.75
4MZ4-METHYLIMIDAZOLEA2FNN0.75
4MZ4-METHYLIMIDAZOLEA1MOO0.75
4MZ4-METHYLIMIDAZOLEA1G0E0.75
ANG8-AMINOGUANINEA,C1M3Q0.7
ANG8-AMINOGUANINEA,E1LWV0.7
HPAHYPOXANTHINEA1PNR0.77
HPAHYPOXANTHINEA2EET0.77
HPAHYPOXANTHINEA2PUG0.77
HPAHYPOXANTHINEA1A9T0.77
HPAHYPOXANTHINEA1BDI0.77
HPAHYPOXANTHINEA1QQA0.77
HPAHYPOXANTHINEA1VFN0.77
HPAHYPOXANTHINEA1VPW0.77
HPAHYPOXANTHINEA2EEV0.77
HPAHYPOXANTHINEA1A9Q0.77
HPAHYPOXANTHINEA1A9R0.77
HPAHYPOXANTHINEA2EEU0.77
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.77
HPAHYPOXANTHINEA1JFT0.77
HPAHYPOXANTHINEA2EEW0.77
HPAHYPOXANTHINEA2PUD0.77
HPAHYPOXANTHINEA1QP70.77
HPAHYPOXANTHINEA,M1ZAY0.77
HPAHYPOXANTHINEA1JH90.77
HPAHYPOXANTHINEA2EES0.77
HPAHYPOXANTHINEA1JFS0.77
HPAHYPOXANTHINEA1QP00.77
HPAHYPOXANTHINEA1QPZ0.77
HPAHYPOXANTHINEA1U8D0.77
HPAHYPOXANTHINEA1QQB0.77
HPAHYPOXANTHINEA1BDH0.77
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.77
HPAHYPOXANTHINEA1QP40.77
HPAHYPOXANTHINEA,B,C3FNQ0.77
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71