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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323396

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
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.78
M1A6-AMINO-1-METHYLPURINEA1B420.78
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
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.78
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.78
PM69H-purine-6-thiolA,B3BGD0.73
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
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
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.73
BRG8-BROMOGUANINEA,E1LWW0.7
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
BCP2-BROMO-6-CHLORO-PURINEA1M660.7
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.7
6GU6-chloroguanineA3FO40.73
6GU6-chloroguanineA3GOG0.73
6GU6-chloroguanineA3GER0.73
2BP9H-purin-2-amineA3G4M0.7
A2F2-fluoroadenineA3GOT0.76
A2F2-fluoroadenineA,B,C3GB90.76
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
6MP6-METHYLPURINEA,B,C1OU40.72
6MP6-METHYLPURINEA,B,C1OTY0.72
6MP6-METHYLPURINEA2PUA0.72
6AP9H-PURINE-2,6-DIAMINEA2B570.78
BP16-BROMO-7H-PURINEA,B,C1S2I0.72
8IG8-IODO-GUANINEA,B,C1C3X0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.71
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
4MZ4-METHYLIMIDAZOLEA1DTM0.73
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.73
4MZ4-METHYLIMIDAZOLEA2FNN0.73
4MZ4-METHYLIMIDAZOLEA1MOO0.73
4MZ4-METHYLIMIDAZOLEA1G0E0.73
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.81
ANG8-AMINOGUANINEA,C1M3Q0.72
ANG8-AMINOGUANINEA,E1LWV0.72
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.95