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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03218531

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
2FE2'-fluoro-2'-deoxy-1,N6-ethenoadenineE,G3CWU0.7
PR5B2DD20.73
PR5B2DD10.73
PR5B2DD30.73
PR5A,B,C,D,E,F,
G,H
2B3J0.73
AD33-DEAZA-ADENOSINEA,B1KIE0.79
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.79
AD33-DEAZA-ADENOSINEA,B1R4F0.79
AD33-DEAZA-ADENOSINEA,B1HP00.79
5I57-(5-DEOXY-BETA-D-RIBOFURANOSYL)-
5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-
4-AMINE
A,B,C,D2I6A0.9
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.73
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.73
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.75
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.75
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.75
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.75
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.75
DBM9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-
6-METHYLPURINE
A,B,C1OV60.73
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.7
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.7
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B2ZOQ0.91
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A2VUW0.91
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B,C,D2C470.91
TAL9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-
6-METHYLPURINE
A,B,C1OUM0.73
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.73
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR20.73
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR30.73
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA,B1PT90.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.72
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.72
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.72
1DA1-DEAZA-ADENOSINEA1ADD0.8
PURPURINE RIBOSIDEA1FKW0.74
PURPURINE RIBOSIDEA1UIP0.74
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.73
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B2QTG0.91
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B1NC10.91
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A1SD20.91
7RA7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-
5'-PHOSPHATE
A1L5M0.74
7DA7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATEB1U1K0.95
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
ADNADENOSINEA2JC90.71
ADNADENOSINEA1PG20.71
ADNADENOSINEA,B,C2ZBV0.71
ADNADENOSINEA2DOJ0.71
ADNADENOSINEA,B,C,D1RMT0.71
ADNADENOSINEA,B2C490.71
ADNADENOSINEA,B,C,D3G1U0.71
ADNADENOSINEA,B1Q970.71
ADNADENOSINEA1N3Z0.71
ADNADENOSINEE1FMO0.71
ADNADENOSINEA,B1HO50.71
ADNADENOSINEA,B,C,D2ZBU0.71
ADNADENOSINEA1MRG0.71
ADNADENOSINEA,B,C2EJF0.71
ADNADENOSINEA1MUO0.71
ADNADENOSINEA,B,C,D,E,F1VHW0.71
ADNADENOSINEA,B,C,D,E,F1JDV0.71
ADNADENOSINEA,B1UAY0.71
ADNADENOSINEA1LIK0.71
ADNADENOSINEA,B,C,D3CE60.71
ADNADENOSINEA,B2EJG0.71
ADNADENOSINEA2PKM0.71
ADNADENOSINEA1YI40.71
ADNADENOSINEA1LII0.71
ADNADENOSINEA2EVA0.71
ADNADENOSINEA2Q6K0.71
ADNADENOSINEA1BX40.71
ADNADENOSINEA,B2AC70.71
ADNADENOSINEA,B2B8J0.71
ADNADENOSINEA2FQY0.71
ADNADENOSINEA1Z370.71
ADNADENOSINEA1MRJ0.71
ADNADENOSINEA,B,C1PK70.71
ADNADENOSINEA2PGF0.71
ADNADENOSINEA,B2ZGW0.71
ADNADENOSINEA,B,C,D1JG30.71
ADNADENOSINEA,B,C1WU80.71
ADNADENOSINEA,B,C,D1XWF0.71
ADNADENOSINEA,B,C,D1V8B0.71
ADNADENOSINEA3REQ0.71
ADNADENOSINEA,B2A8T0.71
ADNADENOSINEA1JG20.71
ADNADENOSINEA,B2Q830.71
ADNADENOSINEA,B2B820.71
ADNADENOSINEA,B,C,D,E,F2GL00.71
ADNADENOSINEA,B2W030.71
ADNADENOSINEA,B,C,D1D4F0.71
ADNADENOSINEA,B2OA10.71
ADNADENOSINEA1DGM0.71
ADNADENOSINEA,B,C,D,E,F1ODI0.71
ADNADENOSINEA3FUU0.71
PRNB1CL80.74
PRNB1U1L0.74
PRNB1U1N0.74
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEF0.76
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C1YQM0.76
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEG0.76
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEB1U1M0.76
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.71
P2PN7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-
HYDROXYPURINE
A1JHR0.72
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE
A2A7Q0.71
TBN'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B,C1PR50.97
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,C1T0D0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
B,D2BCY0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,B,C3BBI0.74
MTU9-BETA-D-RIBOFURANOSYL-9H-PURIN-
2-AMINE
A,B,C3B910.74
P5PA,B1MV60.73
P5PA,B1MV10.73
P5PA,B1MV20.73
P5PB1XV00.73
P5PA1RBN0.73
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C,D1IHX0.74
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C1PTJ0.74
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine
A,B3DZ60.71
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7O0.75
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7P0.75
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C,D2C7R0.75
A1P9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-
BETA-L-ERYTHRO-PENTOFURANOSYL}-
9H-PURIN-2-AMINE
A,C2C7Q0.75
RPP2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1LIJ0.71
XAE3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-
G]QUINAZOLIN-8-AMINE
A,B2ICZ0.72
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B2Z3K0.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PR60.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1ZTF0.71
EDA3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-
PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
A,B150D0.71
EDA3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-
PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
A,P,T2DPJ0.71
EDA3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-
PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
A,P,T2DPI0.71
EDA3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-
PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
A,D1EWN0.71
EDA3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-
PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
A,D1F4R0.71
7RP7-ALPHA-D-RIBOFURANOSYL-PURINE-
5'-PHOSPHATE
A1L5L0.73
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE
A,B,C,D1EBU0.75
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B,C1PW70.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL
A,B3GLQ0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1PR20.76
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1OVG0.76