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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02206242

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TEPTHEOPHYLLINEA1EHT0.75
TEPTHEOPHYLLINEA,B2A3A0.75
TEPTHEOPHYLLINEA1O150.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.77
BRG8-BROMOGUANINEA,E1LWW0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.72
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.73
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.73
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.86
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
37TTHEOBROMINEA2EFJ0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.74
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.71
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.71
M1A6-AMINO-1-METHYLPURINEA1B420.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.75
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.81
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
ADEADENINEA1WEI0.73
ADEADENINEA2QLU0.73
ADEADENINEA,B2H8G0.73
ADEADENINEA,B1HQC0.73
ADEADENINEA1AHA0.73
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.73
ADEADENINEA,B,D1YXM0.73
ADEADENINEA1CB00.73
ADEADENINEA,B2QTT0.73
ADEADENINEA,B,C1XE80.73
ADEADENINEA,B1M2T0.73
ADEADENINEA2P8N0.73
ADEADENINEA,B,C2PQJ0.73
ADEADENINEA,B,C1VRL0.73
ADEADENINEA,B3BSF0.73
ADEADENINEX1Y260.73
ADEADENINEA,B1ZN70.73
ADEADENINEA,B1Z5N0.73
ADEADENINEA1QB70.73
ADEADENINEA1LU10.73
ADEADENINEA,B1Q8Y0.73
ADEADENINEA2QES0.73
ADEADENINEA2PUB0.73
ADEADENINEA1Z8D0.73
ADEADENINEA1JH80.73
ADEADENINEA1QD20.73
ADEADENINEA2ICS0.73
ADEADENINEA1IFS0.73
ADEADENINEA1NLI0.73
ADEADENINEA,B1D2A0.73
ADEADENINEA1GIU0.73
ADEADENINEA1J1R0.73
ADEADENINEA2QET0.73
ADEADENINEA,B,C1OD40.73
ADEADENINEA,B1QCI0.73
ADEADENINEA,B,C,D,E,F2GA40.73
ADEADENINEA,B1JYS0.73
ADEADENINEA1LPD0.73
ADEADENINEA,B1OD20.73
ADEADENINEA1WTA0.73
ADEADENINEA,B,C1S2D0.73
ADEADENINEA1MUD0.73
ADEADENINEA2PUE0.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
ANG8-AMINOGUANINEA,C1M3Q0.73
ANG8-AMINOGUANINEA,E1LWV0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
XANXANTHINEA3GAO0.73
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.73
XANXANTHINEA,B,C,D,E,F1YR30.73
XANXANTHINEA2UZ90.73
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.73
XANXANTHINEA,B,C,D1A960.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.71
8IG8-IODO-GUANINEA,B,C1C3X0.71
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.71
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.7
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
6AP9H-PURINE-2,6-DIAMINEA2B570.73
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.74
GUNGUANINEA,B1IT70.8
GUNGUANINEA,B,C,D3BP10.8
GUNGUANINEA1XT40.8
GUNGUANINEA1ULB0.8
GUNGUANINEA,B2I9U0.8
GUNGUANINEA2JH90.8
GUNGUANINEE1V2H0.8
GUNGUANINEA2JHA0.8
GUNGUANINEA,B,C,D1A950.8
GUNGUANINEA,B,C1XE70.8
GUNGUANINEA,B,C1YQQ0.8
GUNGUANINEA,B1D6A0.8
GUNGUANINEA1WET0.8
GUNGUANINEA2PUF0.8
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.8
GUNGUANINEA,B,C1VMK0.8
GUNGUANINEA,B,C1YQU0.8
GUNGUANINEA2JHC0.8
GUNGUANINEA2JH80.8
GUNGUANINEA2JHP0.8
GUNGUANINEA2PUC0.8
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.8
GUNGUANINEA,B,C,D,E,F2O740.8
GUNGUANINEA2PWU0.8
GUNGUANINEA2OOD0.8
GUNGUANINEA2POT0.8