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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03085941

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
301N6-(penta-2,3-dienyl)adenineA3BW70.7
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.73
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.73
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.73
BCP2-BROMO-6-CHLORO-PURINEA1M660.71
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.71
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
ADNADENOSINEA2JC90.7
ADNADENOSINEA1PG20.7
ADNADENOSINEA,B,C2ZBV0.7
ADNADENOSINEA2DOJ0.7
ADNADENOSINEA,B,C,D1RMT0.7
ADNADENOSINEA,B2C490.7
ADNADENOSINEA,B,C,D3G1U0.7
ADNADENOSINEA,B1Q970.7
ADNADENOSINEA1N3Z0.7
ADNADENOSINEE1FMO0.7
ADNADENOSINEA,B1HO50.7
ADNADENOSINEA,B,C,D2ZBU0.7
ADNADENOSINEA1MRG0.7
ADNADENOSINEA,B,C2EJF0.7
ADNADENOSINEA1MUO0.7
ADNADENOSINEA,B,C,D,E,F1VHW0.7
ADNADENOSINEA,B,C,D,E,F1JDV0.7
ADNADENOSINEA,B1UAY0.7
ADNADENOSINEA1LIK0.7
ADNADENOSINEA,B,C,D3CE60.7
ADNADENOSINEA,B2EJG0.7
ADNADENOSINEA2PKM0.7
ADNADENOSINEA1YI40.7
ADNADENOSINEA1LII0.7
ADNADENOSINEA2EVA0.7
ADNADENOSINEA2Q6K0.7
ADNADENOSINEA1BX40.7
ADNADENOSINEA,B2AC70.7
ADNADENOSINEA,B2B8J0.7
ADNADENOSINEA2FQY0.7
ADNADENOSINEA1Z370.7
ADNADENOSINEA1MRJ0.7
ADNADENOSINEA,B,C1PK70.7
ADNADENOSINEA2PGF0.7
ADNADENOSINEA,B2ZGW0.7
ADNADENOSINEA,B,C,D1JG30.7
ADNADENOSINEA,B,C1WU80.7
ADNADENOSINEA,B,C,D1XWF0.7
ADNADENOSINEA,B,C,D1V8B0.7
ADNADENOSINEA3REQ0.7
ADNADENOSINEA,B2A8T0.7
ADNADENOSINEA1JG20.7
ADNADENOSINEA,B2Q830.7
ADNADENOSINEA,B2B820.7
ADNADENOSINEA,B,C,D,E,F2GL00.7
ADNADENOSINEA,B2W030.7
ADNADENOSINEA,B,C,D1D4F0.7
ADNADENOSINEA,B2OA10.7
ADNADENOSINEA1DGM0.7
ADNADENOSINEA,B,C,D,E,F1ODI0.7
ADNADENOSINEA3FUU0.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.7
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.71
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZH0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.72
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.72
M1A6-AMINO-1-METHYLPURINEA1B420.7
DEAD-ERITADENINEA,B,C,D,E,F,
G,H		1K0U0.7
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.73
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.77
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.77
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B2Z3K0.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PR60.7
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1ZTF0.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.74
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.72
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.72
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.72
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C1PW70.7
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B3GLQ0.7
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.72
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.73
CL92-chloro-2'-deoxyadenosineA,B2ZI90.73
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.74
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.72
5AD5'-DEOXYADENOSINEB1XRS0.72
5AD5'-DEOXYADENOSINEA,B,C2CC20.72
5AD5'-DEOXYADENOSINEA,B2FB30.72
5AD5'-DEOXYADENOSINEA3CI30.72
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.72
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.74
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.77
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.72
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.71
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.71
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.76
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.72
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.7
FA25-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-
3-YL DIHYDROGEN PHOSPHATE		A,B1PWF0.7