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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02389372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.91
3MA6-AMINO-3-METHYLPURINEA3MAG0.95
BOA2-BROMO-6-HYDROXY-PURINEA1M670.78
6GO6-O-methylguanineA3FO60.78
6GO6-O-methylguanineA3GES0.78
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.89
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.74
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.74
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.71
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.75
A2F2-fluoroadenineA3GOT0.97
A2F2-fluoroadenineA,B,C3GB90.97
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.92
GUNGUANINEA,B1IT70.7
GUNGUANINEA,B,C,D3BP10.7
GUNGUANINEA1XT40.7
GUNGUANINEA1ULB0.7
GUNGUANINEA,B2I9U0.7
GUNGUANINEA2JH90.7
GUNGUANINEE1V2H0.7
GUNGUANINEA2JHA0.7
GUNGUANINEA,B,C,D1A950.7
GUNGUANINEA,B,C1XE70.7
GUNGUANINEA,B,C1YQQ0.7
GUNGUANINEA,B1D6A0.7
GUNGUANINEA1WET0.7
GUNGUANINEA2PUF0.7
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.7
GUNGUANINEA,B,C1VMK0.7
GUNGUANINEA,B,C1YQU0.7
GUNGUANINEA2JHC0.7
GUNGUANINEA2JH80.7
GUNGUANINEA2JHP0.7
GUNGUANINEA2PUC0.7
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.7
GUNGUANINEA,B,C,D,E,F2O740.7
GUNGUANINEA2PWU0.7
GUNGUANINEA2OOD0.7
GUNGUANINEA2POT0.7
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
M1A6-AMINO-1-METHYLPURINEA1B420.95
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.75
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.78
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.78
301N6-(penta-2,3-dienyl)adenineA3BW70.85
6AP9H-PURINE-2,6-DIAMINEA2B570.99
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.86
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.86
PM69H-purine-6-thiolA,B3BGD0.89
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.82
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.83
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.78
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.77
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.78
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
6GU6-chloroguanineA3FO40.92
6GU6-chloroguanineA3GOG0.92
6GU6-chloroguanineA3GER0.92
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.73
BP16-BROMO-7H-PURINEA,B,C1S2I0.91
XANXANTHINEA3GAO0.75
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.75
XANXANTHINEA,B,C,D,E,F1YR30.75
XANXANTHINEA2UZ90.75
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.75
XANXANTHINEA,B,C,D1A960.75
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
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
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.72
BCP2-BROMO-6-CHLORO-PURINEA1M660.89
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.89
6MP6-METHYLPURINEA,B,C1OU40.89
6MP6-METHYLPURINEA,B,C1OTY0.89
6MP6-METHYLPURINEA2PUA0.89
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.72
2BP9H-purin-2-amineA3G4M0.89
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.86
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.73
HPAHYPOXANTHINEA1PNR0.7
HPAHYPOXANTHINEA2EET0.7
HPAHYPOXANTHINEA2PUG0.7
HPAHYPOXANTHINEA1A9T0.7
HPAHYPOXANTHINEA1BDI0.7
HPAHYPOXANTHINEA1QQA0.7
HPAHYPOXANTHINEA1VFN0.7
HPAHYPOXANTHINEA1VPW0.7
HPAHYPOXANTHINEA2EEV0.7
HPAHYPOXANTHINEA1A9Q0.7
HPAHYPOXANTHINEA1A9R0.7
HPAHYPOXANTHINEA2EEU0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.7
HPAHYPOXANTHINEA1JFT0.7
HPAHYPOXANTHINEA2EEW0.7
HPAHYPOXANTHINEA2PUD0.7
HPAHYPOXANTHINEA1QP70.7
HPAHYPOXANTHINEA,M1ZAY0.7
HPAHYPOXANTHINEA1JH90.7
HPAHYPOXANTHINEA2EES0.7
HPAHYPOXANTHINEA1JFS0.7
HPAHYPOXANTHINEA1QP00.7
HPAHYPOXANTHINEA1QPZ0.7
HPAHYPOXANTHINEA1U8D0.7
HPAHYPOXANTHINEA1QQB0.7
HPAHYPOXANTHINEA1BDH0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.7
HPAHYPOXANTHINEA1QP40.7
HPAHYPOXANTHINEA,B,C3FNQ0.7
9MG9-METHYLGUANINEA1RRW0.75
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.78
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.88
ADEADENINEA1WEI0.99
ADEADENINEA2QLU0.99
ADEADENINEA,B2H8G0.99
ADEADENINEA,B1HQC0.99
ADEADENINEA1AHA0.99
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.99
ADEADENINEA,B,D1YXM0.99
ADEADENINEA1CB00.99
ADEADENINEA,B2QTT0.99
ADEADENINEA,B,C1XE80.99
ADEADENINEA,B1M2T0.99
ADEADENINEA2P8N0.99
ADEADENINEA,B,C2PQJ0.99
ADEADENINEA,B,C1VRL0.99
ADEADENINEA,B3BSF0.99
ADEADENINEX1Y260.99
ADEADENINEA,B1ZN70.99
ADEADENINEA,B1Z5N0.99
ADEADENINEA1QB70.99
ADEADENINEA1LU10.99
ADEADENINEA,B1Q8Y0.99
ADEADENINEA2QES0.99
ADEADENINEA2PUB0.99
ADEADENINEA1Z8D0.99
ADEADENINEA1JH80.99
ADEADENINEA1QD20.99
ADEADENINEA2ICS0.99
ADEADENINEA1IFS0.99
ADEADENINEA1NLI0.99
ADEADENINEA,B1D2A0.99
ADEADENINEA1GIU0.99
ADEADENINEA1J1R0.99
ADEADENINEA2QET0.99
ADEADENINEA,B,C1OD40.99
ADEADENINEA,B1QCI0.99
ADEADENINEA,B,C,D,E,F2GA40.99
ADEADENINEA,B1JYS0.99
ADEADENINEA1LPD0.99
ADEADENINEA,B1OD20.99
ADEADENINEA1WTA0.99
ADEADENINEA,B,C1S2D0.99
ADEADENINEA1MUD0.99
ADEADENINEA2PUE0.99
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.74