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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231253

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRG8-BROMOGUANINEA,E1LWW0.71
8IG8-IODO-GUANINEA,B,C1C3X0.72
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.73
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.82
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.73
TEPTHEOPHYLLINEA1EHT0.74
TEPTHEOPHYLLINEA,B2A3A0.74
TEPTHEOPHYLLINEA1O150.74
301N6-(penta-2,3-dienyl)adenineA3BW70.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.76
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.74
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.75
ADEADENINEA1WEI0.74
ADEADENINEA2QLU0.74
ADEADENINEA,B2H8G0.74
ADEADENINEA,B1HQC0.74
ADEADENINEA1AHA0.74
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.74
ADEADENINEA,B,D1YXM0.74
ADEADENINEA1CB00.74
ADEADENINEA,B2QTT0.74
ADEADENINEA,B,C1XE80.74
ADEADENINEA,B1M2T0.74
ADEADENINEA2P8N0.74
ADEADENINEA,B,C2PQJ0.74
ADEADENINEA,B,C1VRL0.74
ADEADENINEA,B3BSF0.74
ADEADENINEX1Y260.74
ADEADENINEA,B1ZN70.74
ADEADENINEA,B1Z5N0.74
ADEADENINEA1QB70.74
ADEADENINEA1LU10.74
ADEADENINEA,B1Q8Y0.74
ADEADENINEA2QES0.74
ADEADENINEA2PUB0.74
ADEADENINEA1Z8D0.74
ADEADENINEA1JH80.74
ADEADENINEA1QD20.74
ADEADENINEA2ICS0.74
ADEADENINEA1IFS0.74
ADEADENINEA1NLI0.74
ADEADENINEA,B1D2A0.74
ADEADENINEA1GIU0.74
ADEADENINEA1J1R0.74
ADEADENINEA2QET0.74
ADEADENINEA,B,C1OD40.74
ADEADENINEA,B1QCI0.74
ADEADENINEA,B,C,D,E,F2GA40.74
ADEADENINEA,B1JYS0.74
ADEADENINEA1LPD0.74
ADEADENINEA,B1OD20.74
ADEADENINEA1WTA0.74
ADEADENINEA,B,C1S2D0.74
ADEADENINEA1MUD0.74
ADEADENINEA2PUE0.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
M1A6-AMINO-1-METHYLPURINEA1B420.75
A2F2-fluoroadenineA3GOT0.73
A2F2-fluoroadenineA,B,C3GB90.73
HPAHYPOXANTHINEA1PNR0.79
HPAHYPOXANTHINEA2EET0.79
HPAHYPOXANTHINEA2PUG0.79
HPAHYPOXANTHINEA1A9T0.79
HPAHYPOXANTHINEA1BDI0.79
HPAHYPOXANTHINEA1QQA0.79
HPAHYPOXANTHINEA1VFN0.79
HPAHYPOXANTHINEA1VPW0.79
HPAHYPOXANTHINEA2EEV0.79
HPAHYPOXANTHINEA1A9Q0.79
HPAHYPOXANTHINEA1A9R0.79
HPAHYPOXANTHINEA2EEU0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.79
HPAHYPOXANTHINEA1JFT0.79
HPAHYPOXANTHINEA2EEW0.79
HPAHYPOXANTHINEA2PUD0.79
HPAHYPOXANTHINEA1QP70.79
HPAHYPOXANTHINEA,M1ZAY0.79
HPAHYPOXANTHINEA1JH90.79
HPAHYPOXANTHINEA2EES0.79
HPAHYPOXANTHINEA1JFS0.79
HPAHYPOXANTHINEA1QP00.79
HPAHYPOXANTHINEA1QPZ0.79
HPAHYPOXANTHINEA1U8D0.79
HPAHYPOXANTHINEA1QQB0.79
HPAHYPOXANTHINEA1BDH0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.79
HPAHYPOXANTHINEA1QP40.79
HPAHYPOXANTHINEA,B,C3FNQ0.79
XANXANTHINEA3GAO0.74
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.74
XANXANTHINEA,B,C,D,E,F1YR30.74
XANXANTHINEA2UZ90.74
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.74
XANXANTHINEA,B,C,D1A960.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.7
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.7
ANG8-AMINOGUANINEA,C1M3Q0.73
ANG8-AMINOGUANINEA,E1LWV0.73
2BP9H-purin-2-amineA3G4M0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.76
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.76
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.71
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.76
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.74
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
6AP9H-PURINE-2,6-DIAMINEA2B570.74
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.87
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.71
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.71
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
AHNN-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDEA,B2AFW0.72