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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02040878

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.77
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.72
GNE1,N2-ETHENOGUANINEA,T2BQR0.7
GNE1,N2-ETHENOGUANINEA,T2BR00.7
GNE1,N2-ETHENOGUANINEA,T2BQ30.7
GNE1,N2-ETHENOGUANINEA,T2BQU0.7
GNE1,N2-ETHENOGUANINEA2K1Y0.7
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.79
DIMDIIMIDAZOLE LEXITROPSINA,B334D0.71
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.78
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
E1XPHOSPHORIC ACID MONO-[5-(1-ETHYL-
2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-
9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL]ESTER
C,E1T390.75
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.7
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.7
37TTHEOBROMINEA2EFJ0.78
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.76
MG77-METHYLGUANOSINEA1EQA0.73
MG77-METHYLGUANOSINEA4DCG0.73
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.73
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.73
13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-
2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-
2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4S-ONE
A,B,C,D2B1G0.73
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.73
CG2CYTIDYL-2'-5'-PHOSPHO-GUANOSINEA1OJ10.7
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.75
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
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.73
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.73
2EGA,B,C3EPG0.71
2EGA,B2HMD0.71
2EGA,B2HMR0.71
2EGA,B,C3EPI0.71
GMPGUANOSINEA2GBH0.72
GMPGUANOSINEA1IH70.72
GMPGUANOSINEA2QVN0.72
GMPGUANOSINEA,B1WAF0.72
GMPGUANOSINEA,B,C,D,E,F1JE10.72
GMPGUANOSINEA3DMH0.72
GMPGUANOSINEE1RFG0.72
GMPGUANOSINEA2FQX0.72
GMPGUANOSINEA3CFO0.72
GMPGUANOSINEA,B2AN90.72
GMPGUANOSINEA,B,C,D,E,F1ODJ0.72
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.71
U2GURIDYLYL-2'-5'-PHOSPHO-GUANOSINEA1EOW0.71
U2GURIDYLYL-2'-5'-PHOSPHO-GUANOSINEA,B11BG0.71
U2GURIDYLYL-2'-5'-PHOSPHO-GUANOSINEA1EOS0.71
HHR6-HYDROXYMETHYLPTERINA3H4A0.72
HHR6-HYDROXYMETHYLPTERINA,B1TMM0.72
HHR6-HYDROXYMETHYLPTERINA1RU20.72
HHR6-HYDROXYMETHYLPTERINA,B,C,D,E,F,
G,H
2W540.72
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.79
TEPTHEOPHYLLINEA1EHT0.76
TEPTHEOPHYLLINEA,B2A3A0.76
TEPTHEOPHYLLINEA1O150.76
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E1FCW0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1OB50.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGQ0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1ML50.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEX,Y2DLC0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1TTT0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1F7U0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA2Z9Q0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1GIX0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTS0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1OB20.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE2,Y2QNH0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B3DEG0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEC,D1MJ10.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1F7V0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTT0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1YFG0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TRA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,C,E,F486D0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEE,F1SZ10.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TN20.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EVV0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE0,Y,Z2OW80.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGP0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TNA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEV,Y,Z3FIC0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA6TNA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EHZ0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1FIR0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TRA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGO0.7
2ND2'-DEOXYINOSINEA1Z390.71
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.72
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
CFFCAFFEINEA,B1L5Q0.77
CFFCAFFEINEA,B2A3B0.77
CFFCAFFEINEA,B1L7X0.77
CFFCAFFEINEA1GFZ0.77
CFFCAFFEINEA,B3DDW0.77
CFFCAFFEINEA,B3DD10.77
CFFCAFFEINEA,B3DDS0.77
CFFCAFFEINEA1C8L0.77
NDM7,9-DIMETHYLGUANINEA1JSZ0.7