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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02262754

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.7
OLOOLOMOUCINEA4ERK0.7
OLOOLOMOUCINEC1W0X0.7
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C3GGS0.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A1Z340.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL		A,B,C1PKE0.73
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine		A,B3DZ60.72
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.74
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.74
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.74
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6I0.75
5CD5'-CHLORO-5'-DEOXYADENOSINEA2Q6L0.75
5CD5'-CHLORO-5'-DEOXYADENOSINEA,B,C2C2W0.75
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.73
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol		A3FZH0.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.73
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE		A,B1A7A0.84
ADNADENOSINEA2JC90.72
ADNADENOSINEA1PG20.72
ADNADENOSINEA,B,C2ZBV0.72
ADNADENOSINEA2DOJ0.72
ADNADENOSINEA,B,C,D1RMT0.72
ADNADENOSINEA,B2C490.72
ADNADENOSINEA,B,C,D3G1U0.72
ADNADENOSINEA,B1Q970.72
ADNADENOSINEA1N3Z0.72
ADNADENOSINEE1FMO0.72
ADNADENOSINEA,B1HO50.72
ADNADENOSINEA,B,C,D2ZBU0.72
ADNADENOSINEA1MRG0.72
ADNADENOSINEA,B,C2EJF0.72
ADNADENOSINEA1MUO0.72
ADNADENOSINEA,B,C,D,E,F1VHW0.72
ADNADENOSINEA,B,C,D,E,F1JDV0.72
ADNADENOSINEA,B1UAY0.72
ADNADENOSINEA1LIK0.72
ADNADENOSINEA,B,C,D3CE60.72
ADNADENOSINEA,B2EJG0.72
ADNADENOSINEA2PKM0.72
ADNADENOSINEA1YI40.72
ADNADENOSINEA1LII0.72
ADNADENOSINEA2EVA0.72
ADNADENOSINEA2Q6K0.72
ADNADENOSINEA1BX40.72
ADNADENOSINEA,B2AC70.72
ADNADENOSINEA,B2B8J0.72
ADNADENOSINEA2FQY0.72
ADNADENOSINEA1Z370.72
ADNADENOSINEA1MRJ0.72
ADNADENOSINEA,B,C1PK70.72
ADNADENOSINEA2PGF0.72
ADNADENOSINEA,B2ZGW0.72
ADNADENOSINEA,B,C,D1JG30.72
ADNADENOSINEA,B,C1WU80.72
ADNADENOSINEA,B,C,D1XWF0.72
ADNADENOSINEA,B,C,D1V8B0.72
ADNADENOSINEA3REQ0.72
ADNADENOSINEA,B2A8T0.72
ADNADENOSINEA1JG20.72
ADNADENOSINEA,B2Q830.72
ADNADENOSINEA,B2B820.72
ADNADENOSINEA,B,C,D,E,F2GL00.72
ADNADENOSINEA,B2W030.72
ADNADENOSINEA,B,C,D1D4F0.72
ADNADENOSINEA,B2OA10.72
ADNADENOSINEA1DGM0.72
ADNADENOSINEA,B,C,D,E,F1ODI0.72
ADNADENOSINEA3FUU0.72
RRCR-ROSCOVITINEA,B,C,D3DDQ0.71
RRCR-ROSCOVITINEA1YGK0.71
RRCR-ROSCOVITINEA1UNL0.71
RRCR-ROSCOVITINEA2A4L0.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.74
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
101A,B,C1CS40.7
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.74
5AD5'-DEOXYADENOSINEB1XRS0.74
5AD5'-DEOXYADENOSINEA,B,C2CC20.74
5AD5'-DEOXYADENOSINEA,B2FB30.74
5AD5'-DEOXYADENOSINEA3CI30.74
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.74
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL		A1LI40.75
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.72
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.72
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B,C1PW70.72
RAB2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-3,4-DIOL		A,B3GLQ0.72
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.75
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE		A2A7Q0.74
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.73
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.73
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B2Z3K0.72
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PR60.72
XYA2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1ZTF0.72
SDG2-amino-9-(2-deoxy-5-O-phosphono-
beta-D-erythro-pentofuranosyl)-
9H-purine-6-selenol		A,C2R7Y0.7
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.75
CL92-chloro-2'-deoxyadenosineA,B2ZI90.75
ARJ(2S,3R,5R)-3-(6-amino-9H-purin-
9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone		A,B,C,D2ZJ10.7
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2H0N0.8
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE		A,B2P8D0.8
301N6-(penta-2,3-dienyl)adenineA3BW70.71
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.76
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.74
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.74
CPRA,B1B3O0.71
CPRA,B1JCN0.71
CPRA,B1NFB0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.74
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.74
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.74
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.74
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.74
1AP2,6-DIAMINOPURINE NUCLEOTIDEA1S1K0.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,B1D760.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,M1ZAY0.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA211D0.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEC,E3C290.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA210D0.7
3AD3'-DEOXYADENOSINEA,B3B4B0.73
3AD3'-DEOXYADENOSINEA,B3B4C0.73
3AD3'-DEOXYADENOSINEA,B1FA00.73
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL		A1YGJ0.71
MAOA1I720.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.7
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A1Z350.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A2PKK0.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C,D2ZJ00.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL		A,B,C1PK90.71
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEA2G8G0.7
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B2IOC0.7
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B,C,D2QRO0.7
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B,C,D2D7G0.7
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEB1Z1C0.7
D5M2'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B2PAU0.7
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.7
A3A2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-
5'-PHOSPHATE		A1S750.7
A3A2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-
5'-PHOSPHATE		A1S740.7
A3A2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-
5'-PHOSPHATE		A1S0T0.7
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL		A2IZU0.73
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL		A,B1YOM0.73
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL		A2Z7S0.73
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL		B2F2C0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.73
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE		A,B,C1PR20.71
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE		A,B,C1OVG0.71