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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372462

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6MCCIS-N6-METHYL-DEOXY-ADENOSINE-5'-
MONOPHOSPHATE
B1OQ20.71
CL92-chloro-2'-deoxyadenosineA,B2ZIA0.72
CL92-chloro-2'-deoxyadenosineA,B2ZI90.72
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.77
XAR[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-
9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-
YL]METHYL DIHYDROGEN PHOSPHATE
A,B2P8D0.89
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.74
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.71
M8E5'-{[4-(aminooxy)butyl](methyl)amino}-
5'-deoxy-8-ethenyladenosine
A,B3DZ60.72
DBM9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-
6-METHYLPURINE
A,B,C1OV60.7
2BUA1U6C0.71
2BUA1U6O0.71
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.7
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.7
ARJ(2S,3R,5R)-3-(6-amino-9H-purin-
9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
A,B,C,D2ZJ10.73
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.78
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
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.75
NOC3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-
CYCLOPENTANE-1,2-DIOL
A1LI40.77
TAL9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-
6-METHYLPURINE
A,B,C1OUM0.7
TXD1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDEA2R140.71
TXD1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDEA,B,C2OO50.71
TXD1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDEA3GX90.71
OLOOLOMOUCINEA4ERK0.75
OLOOLOMOUCINEC1W0X0.75
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.71
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.77
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.71
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
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.73
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.71
MHZ5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINEA1I790.7
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,C,D1JQ30.75
AATS-ADENOSYL-1,8-DIAMINO-3-THIOOCTANEA,B,C2I7C0.75
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
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
RRCR-ROSCOVITINEA,B,C,D3DDQ0.77
RRCR-ROSCOVITINEA1YGK0.77
RRCR-ROSCOVITINEA1UNL0.77
RRCR-ROSCOVITINEA2A4L0.77
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
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
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.72
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine
A,B3DZ50.71
XAD9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-
D-ERYTHRO-HEXOPYRANOSYL)-9H-PURIN-
6-AMINE
A,B2H9S0.73
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
B1EJZ0.73
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A,B,C,D,E,G2BJ60.73
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A481D0.73
6HA1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL
A1D7Z0.73
5AS5'-O-(N-ETHYL-SULFAMOYL)ADENOSINEA1RZY0.71
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL
A1GPJ0.73
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
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.71
CFB2-CHLORO-9-(2-DEOXY-2-FLUORO-B -
D-ARABINOFURANOSYL)-9H-PURIN-6-
AMINE
A2A7Q0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B1DA30.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F1G380.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B4DNB0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,E,G3FMT0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBS0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C2IH50.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH20.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2NP60.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2IBT0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C,D2AOR0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,C,D,F2IH40.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEC,F1LRR0.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEA,B,C2NP70.71
6MAN6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATEB1J3E0.71
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.7
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.7
XGL[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.72
5AD5'-DEOXYADENOSINEA,B,C,D1I9C0.71
5AD5'-DEOXYADENOSINEB1XRS0.71
5AD5'-DEOXYADENOSINEA,B,C2CC20.71
5AD5'-DEOXYADENOSINEA,B2FB30.71
5AD5'-DEOXYADENOSINEA3CI30.71
5AD5'-DEOXYADENOSINEA,B,C,D4REQ0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.72
MAOA1I720.71
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
A40A1D350.71
A40A2D340.71
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE
A,B2KAL0.71
6MTTRANS-N6-METHYL-DEOXY-ADENOSINE-
5'-MONOPHOSPHATE
B1UAB0.71
3AD3'-DEOXYADENOSINEA,B3B4B0.72
3AD3'-DEOXYADENOSINEA,B3B4C0.72
3AD3'-DEOXYADENOSINEA,B1FA00.72
6IAN6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATEA,B,E,F3EPL0.72
6IAN6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATEX,Y2DLC0.72
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
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.7
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.72
TXP1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATEA,B,C2OOR0.7
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.75
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1PR20.71
MDR9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-
6-METHYLPURINE
A,B,C1OVG0.71
ADC(1'R,2'S)-9-(2-HYDROXY-3'-KETO-
CYCLOPENTEN-1-YL)ADENINE
A,B1A7A0.79
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.78
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.78
XAL[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-
9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
A,B2H0N0.89
VMS5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINEB1WK80.7