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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00138573

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.8
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.8
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.84
GUNGUANINEA,B1IT70.72
GUNGUANINEA,B,C,D3BP10.72
GUNGUANINEA1XT40.72
GUNGUANINEA1ULB0.72
GUNGUANINEA,B2I9U0.72
GUNGUANINEA2JH90.72
GUNGUANINEE1V2H0.72
GUNGUANINEA2JHA0.72
GUNGUANINEA,B,C,D1A950.72
GUNGUANINEA,B,C1XE70.72
GUNGUANINEA,B,C1YQQ0.72
GUNGUANINEA,B1D6A0.72
GUNGUANINEA1WET0.72
GUNGUANINEA2PUF0.72
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.72
GUNGUANINEA,B,C1VMK0.72
GUNGUANINEA,B,C1YQU0.72
GUNGUANINEA2JHC0.72
GUNGUANINEA2JH80.72
GUNGUANINEA2JHP0.72
GUNGUANINEA2PUC0.72
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.72
GUNGUANINEA,B,C,D,E,F2O740.72
GUNGUANINEA2PWU0.72
GUNGUANINEA2OOD0.72
GUNGUANINEA2POT0.72
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.8
FAI5-(formylamino)-1-(5-O-phosphono-
beta-D-ribofuranosyl)-1H-imidazole-
4-carboxamide
A2R7N0.7
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.77
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.74
XANXANTHINEA3GAO0.8
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.8
XANXANTHINEA,B,C,D,E,F1YR30.8
XANXANTHINEA2UZ90.8
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.8
XANXANTHINEA,B,C,D1A960.8
TEPTHEOPHYLLINEA1EHT0.84
TEPTHEOPHYLLINEA,B2A3A0.84
TEPTHEOPHYLLINEA1O150.84
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.74
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.74
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.74
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
37TTHEOBROMINEA2EFJ0.86
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.79
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.84
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.7
GNG2'-DEOXY-GUANOSINEA,B3DS70.7
GNG2'-DEOXY-GUANOSINEA,B2ZI70.7
GNG2'-DEOXY-GUANOSINEA,B2A8G0.7
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.8
2ND2'-DEOXYINOSINEA1Z390.72
MG77-METHYLGUANOSINEA1EQA0.73
MG77-METHYLGUANOSINEA4DCG0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.85
35GGUANOSINE-3',5'-MONOPHOSPHATEA,B3DBA0.71
35GGUANOSINE-3',5'-MONOPHOSPHATEA,B2OUU0.71
35GGUANOSINE-3',5'-MONOPHOSPHATEA,B,C,D,E,F1BHN0.71
35GGUANOSINE-3',5'-MONOPHOSPHATEA2K310.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.73
CFFCAFFEINEA,B1L5Q0.85
CFFCAFFEINEA,B2A3B0.85
CFFCAFFEINEA,B1L7X0.85
CFFCAFFEINEA1GFZ0.85
CFFCAFFEINEA,B3DDW0.85
CFFCAFFEINEA,B3DD10.85
CFFCAFFEINEA,B3DDS0.85
CFFCAFFEINEA1C8L0.85
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.79
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.74
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.7
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.74
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,D2B1G0.74
NDM7,9-DIMETHYLGUANINEA1JSZ0.75
01G12R750.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.77
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.82
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B1Q3E0.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B1RL30.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B3DYN0.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B,C1BE40.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B3CL10.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B3DYL0.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B,C,D2GX50.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B2Q0A0.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA1MC00.71
PCGCYCLIC GUANOSINE MONOPHOSPHATEA,B3DYQ0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.75
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
5CG5'-CHLORO-5'-DEOXY-GUANOSINEB,C,E,F,M,P1M5P0.71
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
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.83
93A[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-
1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-
C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-
2-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2B1I0.7
GMPGUANOSINEA2GBH0.73
GMPGUANOSINEA1IH70.73
GMPGUANOSINEA2QVN0.73
GMPGUANOSINEA,B1WAF0.73
GMPGUANOSINEA,B,C,D,E,F1JE10.73
GMPGUANOSINEA3DMH0.73
GMPGUANOSINEE1RFG0.73
GMPGUANOSINEA2FQX0.73
GMPGUANOSINEA3CFO0.73
GMPGUANOSINEA,B2AN90.73
GMPGUANOSINEA,B,C,D,E,F1ODJ0.73
HPAHYPOXANTHINEA1PNR0.72
HPAHYPOXANTHINEA2EET0.72
HPAHYPOXANTHINEA2PUG0.72
HPAHYPOXANTHINEA1A9T0.72
HPAHYPOXANTHINEA1BDI0.72
HPAHYPOXANTHINEA1QQA0.72
HPAHYPOXANTHINEA1VFN0.72
HPAHYPOXANTHINEA1VPW0.72
HPAHYPOXANTHINEA2EEV0.72
HPAHYPOXANTHINEA1A9Q0.72
HPAHYPOXANTHINEA1A9R0.72
HPAHYPOXANTHINEA2EEU0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.72
HPAHYPOXANTHINEA1JFT0.72
HPAHYPOXANTHINEA2EEW0.72
HPAHYPOXANTHINEA2PUD0.72
HPAHYPOXANTHINEA1QP70.72
HPAHYPOXANTHINEA,M1ZAY0.72
HPAHYPOXANTHINEA1JH90.72
HPAHYPOXANTHINEA2EES0.72
HPAHYPOXANTHINEA1JFS0.72
HPAHYPOXANTHINEA1QP00.72
HPAHYPOXANTHINEA1QPZ0.72
HPAHYPOXANTHINEA1U8D0.72
HPAHYPOXANTHINEA1QQB0.72
HPAHYPOXANTHINEA1BDH0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.72
HPAHYPOXANTHINEA1QP40.72
HPAHYPOXANTHINEA,B,C3FNQ0.72
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.77
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.8