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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02351638

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.74
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
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.7
6AP9H-PURINE-2,6-DIAMINEA2B570.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.71
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.7
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.75
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.71
XANXANTHINEA,B,C,D1A960.71
301N6-(penta-2,3-dienyl)adenineA3BW70.74
HPAHYPOXANTHINEA1PNR0.75
HPAHYPOXANTHINEA2EET0.75
HPAHYPOXANTHINEA2PUG0.75
HPAHYPOXANTHINEA1A9T0.75
HPAHYPOXANTHINEA1BDI0.75
HPAHYPOXANTHINEA1QQA0.75
HPAHYPOXANTHINEA1VFN0.75
HPAHYPOXANTHINEA1VPW0.75
HPAHYPOXANTHINEA2EEV0.75
HPAHYPOXANTHINEA1A9Q0.75
HPAHYPOXANTHINEA1A9R0.75
HPAHYPOXANTHINEA2EEU0.75
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.75
HPAHYPOXANTHINEA1JFT0.75
HPAHYPOXANTHINEA2EEW0.75
HPAHYPOXANTHINEA2PUD0.75
HPAHYPOXANTHINEA1QP70.75
HPAHYPOXANTHINEA,M1ZAY0.75
HPAHYPOXANTHINEA1JH90.75
HPAHYPOXANTHINEA2EES0.75
HPAHYPOXANTHINEA1JFS0.75
HPAHYPOXANTHINEA1QP00.75
HPAHYPOXANTHINEA1QPZ0.75
HPAHYPOXANTHINEA1U8D0.75
HPAHYPOXANTHINEA1QQB0.75
HPAHYPOXANTHINEA1BDH0.75
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.75
HPAHYPOXANTHINEA1QP40.75
HPAHYPOXANTHINEA,B,C3FNQ0.75
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.7
3MA6-AMINO-3-METHYLPURINEA3MAG0.71
M1A6-AMINO-1-METHYLPURINEA1B420.71
ADEADENINEA1WEI0.71
ADEADENINEA2QLU0.71
ADEADENINEA,B2H8G0.71
ADEADENINEA,B1HQC0.71
ADEADENINEA1AHA0.71
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.71
ADEADENINEA,B,D1YXM0.71
ADEADENINEA1CB00.71
ADEADENINEA,B2QTT0.71
ADEADENINEA,B,C1XE80.71
ADEADENINEA,B1M2T0.71
ADEADENINEA2P8N0.71
ADEADENINEA,B,C2PQJ0.71
ADEADENINEA,B,C1VRL0.71
ADEADENINEA,B3BSF0.71
ADEADENINEX1Y260.71
ADEADENINEA,B1ZN70.71
ADEADENINEA,B1Z5N0.71
ADEADENINEA1QB70.71
ADEADENINEA1LU10.71
ADEADENINEA,B1Q8Y0.71
ADEADENINEA2QES0.71
ADEADENINEA2PUB0.71
ADEADENINEA1Z8D0.71
ADEADENINEA1JH80.71
ADEADENINEA1QD20.71
ADEADENINEA2ICS0.71
ADEADENINEA1IFS0.71
ADEADENINEA1NLI0.71
ADEADENINEA,B1D2A0.71
ADEADENINEA1GIU0.71
ADEADENINEA1J1R0.71
ADEADENINEA2QET0.71
ADEADENINEA,B,C1OD40.71
ADEADENINEA,B1QCI0.71
ADEADENINEA,B,C,D,E,F2GA40.71
ADEADENINEA,B1JYS0.71
ADEADENINEA1LPD0.71
ADEADENINEA,B1OD20.71
ADEADENINEA1WTA0.71
ADEADENINEA,B,C1S2D0.71
ADEADENINEA1MUD0.71
ADEADENINEA2PUE0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.71
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.7
TEPTHEOPHYLLINEA1EHT0.71
TEPTHEOPHYLLINEA,B2A3A0.71
TEPTHEOPHYLLINEA1O150.71
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.81
ANG8-AMINOGUANINEA,C1M3Q0.7
ANG8-AMINOGUANINEA,E1LWV0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.82
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.82
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.78
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.76
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.76