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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02629618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D2FLH0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B,C,D3C0V0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A2QIM0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A1W1R0.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.72
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.77
N5AA,B2HCH0.71
NECA1QY50.71
NECA1YSZ0.71
NECA,B1U2O0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.71
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.71
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide		A,B3DZ70.72
ADEADENINEA1WEI0.78
ADEADENINEA2QLU0.78
ADEADENINEA,B2H8G0.78
ADEADENINEA,B1HQC0.78
ADEADENINEA1AHA0.78
ADEADENINEA,B,C,D,E,F,
G,H		1BJQ0.78
ADEADENINEA,B,D1YXM0.78
ADEADENINEA1CB00.78
ADEADENINEA,B2QTT0.78
ADEADENINEA,B,C1XE80.78
ADEADENINEA,B1M2T0.78
ADEADENINEA2P8N0.78
ADEADENINEA,B,C2PQJ0.78
ADEADENINEA,B,C1VRL0.78
ADEADENINEA,B3BSF0.78
ADEADENINEX1Y260.78
ADEADENINEA,B1ZN70.78
ADEADENINEA,B1Z5N0.78
ADEADENINEA1QB70.78
ADEADENINEA1LU10.78
ADEADENINEA,B1Q8Y0.78
ADEADENINEA2QES0.78
ADEADENINEA2PUB0.78
ADEADENINEA1Z8D0.78
ADEADENINEA1JH80.78
ADEADENINEA1QD20.78
ADEADENINEA2ICS0.78
ADEADENINEA1IFS0.78
ADEADENINEA1NLI0.78
ADEADENINEA,B1D2A0.78
ADEADENINEA1GIU0.78
ADEADENINEA1J1R0.78
ADEADENINEA2QET0.78
ADEADENINEA,B,C1OD40.78
ADEADENINEA,B1QCI0.78
ADEADENINEA,B,C,D,E,F2GA40.78
ADEADENINEA,B1JYS0.78
ADEADENINEA1LPD0.78
ADEADENINEA,B1OD20.78
ADEADENINEA1WTA0.78
ADEADENINEA,B,C1S2D0.78
ADEADENINEA1MUD0.78
ADEADENINEA2PUE0.78
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.79
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.75
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.84
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA2I2B0.73
CC5BETA-D-ERYTHROFURANOSYL-ADENOSINEA,B,C2CBX0.73
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.7
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.7
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C1S2G0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C2C5H0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2Z3M0.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI60.71
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B2ZI30.71
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.74
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine		A,B3DZ20.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol		A2Z7G0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B1ZOT0.77
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE		A,B,C,D,E,F1PK00.77
N5OA,B2HG10.71
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
DEAD-ERITADENINEA,B,C,D,E,F,
G,H		1K0U0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.87
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.87
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.78
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM		A,B1PU70.85
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL		A,B1I5V0.78
TEPTHEOPHYLLINEA1EHT0.77
TEPTHEOPHYLLINEA,B2A3A0.77
TEPTHEOPHYLLINEA1O150.77
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
CFFCAFFEINEA,B1L5Q0.79
CFFCAFFEINEA,B2A3B0.79
CFFCAFFEINEA,B1L7X0.79
CFFCAFFEINEA1GFZ0.79
CFFCAFFEINEA,B3DDW0.79
CFFCAFFEINEA,B3DD10.79
CFFCAFFEINEA,B3DDS0.79
CFFCAFFEINEA1C8L0.79
301N6-(penta-2,3-dienyl)adenineA3BW70.74
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine		A,B2W6Z0.77
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide		A,B3DZ40.74
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
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.75
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
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE		A1U9V0.79
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
CDY2-CHLORODIDEOXYADENOSINEA1QYE0.71
9MG9-METHYLGUANINEA1RRW0.72
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA1U0Y0.71
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA,B2GQP0.71
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE		A,B,P1T050.77
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
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.71
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine		A2VNW0.77
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE		A2JJA0.75
6AP9H-PURINE-2,6-DIAMINEA2B570.78
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.75
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
PM69H-purine-6-thiolA,B3BGD0.71
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.77
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.75
A3SSERINE-3'-AMINOADENOSINEA2HL00.72
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.72
A3SSERINE-3'-AMINOADENOSINEA1TKY0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.78
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
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.81
2BP9H-purin-2-amineA3G4M0.73
37TTHEOBROMINEA2EFJ0.81
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol		A,B3D7W0.74
N8M5'-deoxy-5'-(dimethylamino)-8-methyladenosineA,B3H0W0.7
103A,B,C1CUL0.71
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
M1A6-AMINO-1-METHYLPURINEA1B420.82
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.71
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.81
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.73
3MA6-AMINO-3-METHYLPURINEA3MAG0.82
5F15'-FLUORO-2',5'-DIDEOXYADENOSINEA,B,C2C5B0.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A2ZI40.71
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol		A,B,C,D2ZI50.71
6MP6-METHYLPURINEA,B,C1OU40.74
6MP6-METHYLPURINEA,B,C1OTY0.74
6MP6-METHYLPURINEA2PUA0.74