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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02335346

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.71
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.91
6MP6-METHYLPURINEA,B,C1OU40.87
6MP6-METHYLPURINEA,B,C1OTY0.87
6MP6-METHYLPURINEA2PUA0.87
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
3MA6-AMINO-3-METHYLPURINEA3MAG0.97
BP16-BROMO-7H-PURINEA,B,C1S2I0.88
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.84
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.84
M1A6-AMINO-1-METHYLPURINEA1B420.97
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.78
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.7
6GO6-O-methylguanineA3FO60.77
6GO6-O-methylguanineA3GES0.77
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.78
TEPTHEOPHYLLINEA1EHT0.74
TEPTHEOPHYLLINEA,B2A3A0.74
TEPTHEOPHYLLINEA1O150.74
PM69H-purine-6-thiolA,B3BGD0.86
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.73
ADEADENINEA1WEI0.95
ADEADENINEA2QLU0.95
ADEADENINEA,B2H8G0.95
ADEADENINEA,B1HQC0.95
ADEADENINEA1AHA0.95
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.95
ADEADENINEA,B,D1YXM0.95
ADEADENINEA1CB00.95
ADEADENINEA,B2QTT0.95
ADEADENINEA,B,C1XE80.95
ADEADENINEA,B1M2T0.95
ADEADENINEA2P8N0.95
ADEADENINEA,B,C2PQJ0.95
ADEADENINEA,B,C1VRL0.95
ADEADENINEA,B3BSF0.95
ADEADENINEX1Y260.95
ADEADENINEA,B1ZN70.95
ADEADENINEA,B1Z5N0.95
ADEADENINEA1QB70.95
ADEADENINEA1LU10.95
ADEADENINEA,B1Q8Y0.95
ADEADENINEA2QES0.95
ADEADENINEA2PUB0.95
ADEADENINEA1Z8D0.95
ADEADENINEA1JH80.95
ADEADENINEA1QD20.95
ADEADENINEA2ICS0.95
ADEADENINEA1IFS0.95
ADEADENINEA1NLI0.95
ADEADENINEA,B1D2A0.95
ADEADENINEA1GIU0.95
ADEADENINEA1J1R0.95
ADEADENINEA2QET0.95
ADEADENINEA,B,C1OD40.95
ADEADENINEA,B1QCI0.95
ADEADENINEA,B,C,D,E,F2GA40.95
ADEADENINEA,B1JYS0.95
ADEADENINEA1LPD0.95
ADEADENINEA,B1OD20.95
ADEADENINEA1WTA0.95
ADEADENINEA,B,C1S2D0.95
ADEADENINEA1MUD0.95
ADEADENINEA2PUE0.95
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.8
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.87
301N6-(penta-2,3-dienyl)adenineA3BW70.85
A2F2-fluoroadenineA3GOT0.93
A2F2-fluoroadenineA,B,C3GB90.93
BOA2-BROMO-6-HYDROXY-PURINEA1M670.75
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.86
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.71
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.9
2BP9H-purin-2-amineA3G4M0.86
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.9
6AP9H-PURINE-2,6-DIAMINEA2B570.95
6GU6-chloroguanineA3FO40.92
6GU6-chloroguanineA3GOG0.92
6GU6-chloroguanineA3GER0.92
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.73
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.73
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.75
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.74
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.87
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.87
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.89
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.89
XANXANTHINEA3GAO0.72
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.72
XANXANTHINEA,B,C,D,E,F1YR30.72
XANXANTHINEA2UZ90.72
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.72
XANXANTHINEA,B,C,D1A960.72
9MG9-METHYLGUANINEA1RRW0.74
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
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.79
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.84
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.79
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.74