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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02383767

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.75
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
M1A6-AMINO-1-METHYLPURINEA1B420.77
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
A2F2-fluoroadenineA3GOT0.78
A2F2-fluoroadenineA,B,C3GB90.78
6AP9H-PURINE-2,6-DIAMINEA2B570.8
PM69H-purine-6-thiolA,B3BGD0.73
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.71
XANXANTHINEA,B,C,D1A960.71
HPAHYPOXANTHINEA1PNR0.79
HPAHYPOXANTHINEA2EET0.79
HPAHYPOXANTHINEA2PUG0.79
HPAHYPOXANTHINEA1A9T0.79
HPAHYPOXANTHINEA1BDI0.79
HPAHYPOXANTHINEA1QQA0.79
HPAHYPOXANTHINEA1VFN0.79
HPAHYPOXANTHINEA1VPW0.79
HPAHYPOXANTHINEA2EEV0.79
HPAHYPOXANTHINEA1A9Q0.79
HPAHYPOXANTHINEA1A9R0.79
HPAHYPOXANTHINEA2EEU0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.79
HPAHYPOXANTHINEA1JFT0.79
HPAHYPOXANTHINEA2EEW0.79
HPAHYPOXANTHINEA2PUD0.79
HPAHYPOXANTHINEA1QP70.79
HPAHYPOXANTHINEA,M1ZAY0.79
HPAHYPOXANTHINEA1JH90.79
HPAHYPOXANTHINEA2EES0.79
HPAHYPOXANTHINEA1JFS0.79
HPAHYPOXANTHINEA1QP00.79
HPAHYPOXANTHINEA1QPZ0.79
HPAHYPOXANTHINEA1U8D0.79
HPAHYPOXANTHINEA1QQB0.79
HPAHYPOXANTHINEA1BDH0.79
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.79
HPAHYPOXANTHINEA1QP40.79
HPAHYPOXANTHINEA,B,C3FNQ0.79
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.72
BRG8-BROMOGUANINEA,E1LWW0.7
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
GUNGUANINEA,B1IT70.79
GUNGUANINEA,B,C,D3BP10.79
GUNGUANINEA1XT40.79
GUNGUANINEA1ULB0.79
GUNGUANINEA,B2I9U0.79
GUNGUANINEA2JH90.79
GUNGUANINEE1V2H0.79
GUNGUANINEA2JHA0.79
GUNGUANINEA,B,C,D1A950.79
GUNGUANINEA,B,C1XE70.79
GUNGUANINEA,B,C1YQQ0.79
GUNGUANINEA,B1D6A0.79
GUNGUANINEA1WET0.79
GUNGUANINEA2PUF0.79
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.79
GUNGUANINEA,B,C1VMK0.79
GUNGUANINEA,B,C1YQU0.79
GUNGUANINEA2JHC0.79
GUNGUANINEA2JH80.79
GUNGUANINEA2JHP0.79
GUNGUANINEA2PUC0.79
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.79
GUNGUANINEA,B,C,D,E,F2O740.79
GUNGUANINEA2PWU0.79
GUNGUANINEA2OOD0.79
GUNGUANINEA2POT0.79
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.71
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.71
2BP9H-purin-2-amineA3G4M0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.71
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
8IG8-IODO-GUANINEA,B,C1C3X0.71
4MZ4-METHYLIMIDAZOLEA1DTM0.72
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.72
4MZ4-METHYLIMIDAZOLEA2FNN0.72
4MZ4-METHYLIMIDAZOLEA1MOO0.72
4MZ4-METHYLIMIDAZOLEA1G0E0.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.73
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.73
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.81
ANG8-AMINOGUANINEA,C1M3Q0.72
ANG8-AMINOGUANINEA,E1LWV0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.76
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.97
BP16-BROMO-7H-PURINEA,B,C1S2I0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71
ADEADENINEA1WEI0.8
ADEADENINEA2QLU0.8
ADEADENINEA,B2H8G0.8
ADEADENINEA,B1HQC0.8
ADEADENINEA1AHA0.8
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.8
ADEADENINEA,B,D1YXM0.8
ADEADENINEA1CB00.8
ADEADENINEA,B2QTT0.8
ADEADENINEA,B,C1XE80.8
ADEADENINEA,B1M2T0.8
ADEADENINEA2P8N0.8
ADEADENINEA,B,C2PQJ0.8
ADEADENINEA,B,C1VRL0.8
ADEADENINEA,B3BSF0.8
ADEADENINEX1Y260.8
ADEADENINEA,B1ZN70.8
ADEADENINEA,B1Z5N0.8
ADEADENINEA1QB70.8
ADEADENINEA1LU10.8
ADEADENINEA,B1Q8Y0.8
ADEADENINEA2QES0.8
ADEADENINEA2PUB0.8
ADEADENINEA1Z8D0.8
ADEADENINEA1JH80.8
ADEADENINEA1QD20.8
ADEADENINEA2ICS0.8
ADEADENINEA1IFS0.8
ADEADENINEA1NLI0.8
ADEADENINEA,B1D2A0.8
ADEADENINEA1GIU0.8
ADEADENINEA1J1R0.8
ADEADENINEA2QET0.8
ADEADENINEA,B,C1OD40.8
ADEADENINEA,B1QCI0.8
ADEADENINEA,B,C,D,E,F2GA40.8
ADEADENINEA,B1JYS0.8
ADEADENINEA1LPD0.8
ADEADENINEA,B1OD20.8
ADEADENINEA1WTA0.8
ADEADENINEA,B,C1S2D0.8
ADEADENINEA1MUD0.8
ADEADENINEA2PUE0.8