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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03781988

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.79
301N6-(penta-2,3-dienyl)adenineA3BW70.86
ADEADENINEA1WEI1
ADEADENINEA2QLU1
ADEADENINEA,B2H8G1
ADEADENINEA,B1HQC1
ADEADENINEA1AHA1
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ1
ADEADENINEA,B,D1YXM1
ADEADENINEA1CB01
ADEADENINEA,B2QTT1
ADEADENINEA,B,C1XE81
ADEADENINEA,B1M2T1
ADEADENINEA2P8N1
ADEADENINEA,B,C2PQJ1
ADEADENINEA,B,C1VRL1
ADEADENINEA,B3BSF1
ADEADENINEX1Y261
ADEADENINEA,B1ZN71
ADEADENINEA,B1Z5N1
ADEADENINEA1QB71
ADEADENINEA1LU11
ADEADENINEA,B1Q8Y1
ADEADENINEA2QES1
ADEADENINEA2PUB1
ADEADENINEA1Z8D1
ADEADENINEA1JH81
ADEADENINEA1QD21
ADEADENINEA2ICS1
ADEADENINEA1IFS1
ADEADENINEA1NLI1
ADEADENINEA,B1D2A1
ADEADENINEA1GIU1
ADEADENINEA1J1R1
ADEADENINEA2QET1
ADEADENINEA,B,C1OD41
ADEADENINEA,B1QCI1
ADEADENINEA,B,C,D,E,F2GA41
ADEADENINEA,B1JYS1
ADEADENINEA1LPD1
ADEADENINEA,B1OD21
ADEADENINEA1WTA1
ADEADENINEA,B,C1S2D1
ADEADENINEA1MUD1
ADEADENINEA2PUE1
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.74
BOA2-BROMO-6-HYDROXY-PURINEA1M670.78
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
TNV[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-
TRIPHOSPHATE
A,B,P1T050.71
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.89
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B1ZOT0.73
EMA(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-
DIPHOSPHATE
A,B,C,D,E,F1PK00.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.85
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.85
A2F2-fluoroadenineA3GOT0.98
A2F2-fluoroadenineA,B,C3GB90.98
6MP6-METHYLPURINEA,B,C1OU40.9
6MP6-METHYLPURINEA,B,C1OTY0.9
6MP6-METHYLPURINEA2PUA0.9
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.79
BCP2-BROMO-6-CHLORO-PURINEA1M660.9
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.9
M1A6-AMINO-1-METHYLPURINEA1B420.96
2BP9H-purin-2-amineA3G4M0.9
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.87
HPAHYPOXANTHINEA1PNR0.71
HPAHYPOXANTHINEA2EET0.71
HPAHYPOXANTHINEA2PUG0.71
HPAHYPOXANTHINEA1A9T0.71
HPAHYPOXANTHINEA1BDI0.71
HPAHYPOXANTHINEA1QQA0.71
HPAHYPOXANTHINEA1VFN0.71
HPAHYPOXANTHINEA1VPW0.71
HPAHYPOXANTHINEA2EEV0.71
HPAHYPOXANTHINEA1A9Q0.71
HPAHYPOXANTHINEA1A9R0.71
HPAHYPOXANTHINEA2EEU0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.71
HPAHYPOXANTHINEA1JFT0.71
HPAHYPOXANTHINEA2EEW0.71
HPAHYPOXANTHINEA2PUD0.71
HPAHYPOXANTHINEA1QP70.71
HPAHYPOXANTHINEA,M1ZAY0.71
HPAHYPOXANTHINEA1JH90.71
HPAHYPOXANTHINEA2EES0.71
HPAHYPOXANTHINEA1JFS0.71
HPAHYPOXANTHINEA1QP00.71
HPAHYPOXANTHINEA1QPZ0.71
HPAHYPOXANTHINEA1U8D0.71
HPAHYPOXANTHINEA1QQB0.71
HPAHYPOXANTHINEA1BDH0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.71
HPAHYPOXANTHINEA1QP40.71
HPAHYPOXANTHINEA,B,C3FNQ0.71
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.91
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.77
3D32-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDEA2CGX0.82
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.77
ZAD(S)-1'-(2',3'-DIHYDROXYPROPYL)-
ADENINE
A2JJA0.71
3MA6-AMINO-3-METHYLPURINEA3MAG0.96
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.79
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.74
6AP9H-PURINE-2,6-DIAMINEA2B571
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.9
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.73
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
GUNGUANINEA,B1IT70.71
GUNGUANINEA,B,C,D3BP10.71
GUNGUANINEA1XT40.71
GUNGUANINEA1ULB0.71
GUNGUANINEA,B2I9U0.71
GUNGUANINEA2JH90.71
GUNGUANINEE1V2H0.71
GUNGUANINEA2JHA0.71
GUNGUANINEA,B,C,D1A950.71
GUNGUANINEA,B,C1XE70.71
GUNGUANINEA,B,C1YQQ0.71
GUNGUANINEA,B1D6A0.71
GUNGUANINEA1WET0.71
GUNGUANINEA2PUF0.71
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.71
GUNGUANINEA,B,C1VMK0.71
GUNGUANINEA,B,C1YQU0.71
GUNGUANINEA2JHC0.71
GUNGUANINEA2JH80.71
GUNGUANINEA2JHP0.71
GUNGUANINEA2PUC0.71
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.71
GUNGUANINEA,B,C,D,E,F2O740.71
GUNGUANINEA2PWU0.71
GUNGUANINEA2OOD0.71
GUNGUANINEA2POT0.71
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
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
6GO6-O-methylguanineA3FO60.79
6GO6-O-methylguanineA3GES0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.88
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.88
6GU6-chloroguanineA3FO40.93
6GU6-chloroguanineA3GOG0.93
6GU6-chloroguanineA3GER0.93
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.72
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.76
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.75
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.71
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
PM69H-purine-6-thiolA,B3BGD0.9
BP16-BROMO-7H-PURINEA,B,C1S2I0.92
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.84
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.9