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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03120486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE		A1H0V0.73
PM69H-purine-6-thiolA,B3BGD0.72
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.79
M8M5'-{[2-(aminooxy)ethyl](methyl)amino}-
5'-deoxy-8-methyladenosine		A,B3DZ50.7
DEAD-ERITADENINEA,B,C,D,E,F,
G,H		1K0U0.72
6AP9H-PURINE-2,6-DIAMINEA2B570.79
BOA2-BROMO-6-HYDROXY-PURINEA1M670.7
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.76
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1IVS0.7
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1GAX0.7
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.8
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.7
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.73
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.74
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.77
ADY3'-OXO-ADENOSINEA,B,C,D1KY50.71
MAOA1I720.7
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.74
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.73
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.71
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.77
GMC(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-
9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-
3-FURANOL		A1GPJ0.71
6GO6-O-methylguanineA3FO60.75
6GO6-O-methylguanineA3GES0.75
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA1U0Y0.74
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA,B2GQP0.74
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
301N6-(penta-2,3-dienyl)adenineA3BW70.74
A43A,B,C,D,E,F363D0.7
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
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A1W1Q0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE		A2EXM0.79
M1A6-AMINO-1-METHYLPURINEA1B420.79
NEI(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-
9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-
2-CARBOXAMIDE		A,B2H8M0.73
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium		A3E5F0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.78
ADEADENINEA1WEI0.79
ADEADENINEA2QLU0.79
ADEADENINEA,B2H8G0.79
ADEADENINEA,B1HQC0.79
ADEADENINEA1AHA0.79
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.79
ADEADENINEA,B,D1YXM0.79
ADEADENINEA1CB00.79
ADEADENINEA,B2QTT0.79
ADEADENINEA,B,C1XE80.79
ADEADENINEA,B1M2T0.79
ADEADENINEA2P8N0.79
ADEADENINEA,B,C2PQJ0.79
ADEADENINEA,B,C1VRL0.79
ADEADENINEA,B3BSF0.79
ADEADENINEX1Y260.79
ADEADENINEA,B1ZN70.79
ADEADENINEA,B1Z5N0.79
ADEADENINEA1QB70.79
ADEADENINEA1LU10.79
ADEADENINEA,B1Q8Y0.79
ADEADENINEA2QES0.79
ADEADENINEA2PUB0.79
ADEADENINEA1Z8D0.79
ADEADENINEA1JH80.79
ADEADENINEA1QD20.79
ADEADENINEA2ICS0.79
ADEADENINEA1IFS0.79
ADEADENINEA1NLI0.79
ADEADENINEA,B1D2A0.79
ADEADENINEA1GIU0.79
ADEADENINEA1J1R0.79
ADEADENINEA2QET0.79
ADEADENINEA,B,C1OD40.79
ADEADENINEA,B1QCI0.79
ADEADENINEA,B,C,D,E,F2GA40.79
ADEADENINEA,B1JYS0.79
ADEADENINEA1LPD0.79
ADEADENINEA,B1OD20.79
ADEADENINEA1WTA0.79
ADEADENINEA,B,C1S2D0.79
ADEADENINEA1MUD0.79
ADEADENINEA2PUE0.79
N5OA,B2HG10.73
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.78
ARX(2S,3S,4R,5R)-5-(6-amino-9H-purin-
9-yl)-N-(6-{[(1R)-4-carbamimidamido-
1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-
6-oxohexyl)-3,4-dihydroxytetrahydrofuran-
2-carboxamide		A3BWJ0.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.72
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.73
XANXANTHINEA3GAO0.73
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.73
XANXANTHINEA,B,C,D,E,F1YR30.73
XANXANTHINEA2UZ90.73
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.73
XANXANTHINEA,B,C,D1A960.73
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.72
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.75
3MA6-AMINO-3-METHYLPURINEA3MAG0.79
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
A3SSERINE-3'-AMINOADENOSINEA2HL00.72
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.72
A3SSERINE-3'-AMINOADENOSINEA1TKY0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.78
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.78
2BP9H-purin-2-amineA3G4M0.73
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
N5AA,B2HCH0.73
6MP6-METHYLPURINEA,B,C1OU40.75
6MP6-METHYLPURINEA,B,C1OTY0.75
6MP6-METHYLPURINEA2PUA0.75
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.75
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.79
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.79
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.72
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL		A1GZ80.78
NECA1QY50.74
NECA1YSZ0.74
NECA,B1U2O0.74
3AD3'-DEOXYADENOSINEA,B3B4B0.7
3AD3'-DEOXYADENOSINEA,B3B4C0.7
3AD3'-DEOXYADENOSINEA,B1FA00.7
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.71
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.71
AP7A,B1U6P0.7
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.77