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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230626

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
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
HSMHISTAMINEA,B1U180.71
HSMHISTAMINEA1AVN0.71
HSMHISTAMINEA,B1KAR0.71
HSMHISTAMINEA,B1NP10.71
HSMHISTAMINEA,B1JQD0.71
HSMHISTAMINEA,B2QEB0.71
HSMHISTAMINEA,B1QFV0.71
HSMHISTAMINEA1IKE0.71
HSMHISTAMINEA3BU10.71
HSMHISTAMINEA,B1QFT0.71
TEPTHEOPHYLLINEA1EHT0.7
TEPTHEOPHYLLINEA,B2A3A0.7
TEPTHEOPHYLLINEA1O150.7
6AP9H-PURINE-2,6-DIAMINEA2B570.8
GUNGUANINEA,B1IT70.75
GUNGUANINEA,B,C,D3BP10.75
GUNGUANINEA1XT40.75
GUNGUANINEA1ULB0.75
GUNGUANINEA,B2I9U0.75
GUNGUANINEA2JH90.75
GUNGUANINEE1V2H0.75
GUNGUANINEA2JHA0.75
GUNGUANINEA,B,C,D1A950.75
GUNGUANINEA,B,C1XE70.75
GUNGUANINEA,B,C1YQQ0.75
GUNGUANINEA,B1D6A0.75
GUNGUANINEA1WET0.75
GUNGUANINEA2PUF0.75
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.75
GUNGUANINEA,B,C1VMK0.75
GUNGUANINEA,B,C1YQU0.75
GUNGUANINEA2JHC0.75
GUNGUANINEA2JH80.75
GUNGUANINEA2JHP0.75
GUNGUANINEA2PUC0.75
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.75
GUNGUANINEA,B,C,D,E,F2O740.75
GUNGUANINEA2PWU0.75
GUNGUANINEA2OOD0.75
GUNGUANINEA2POT0.75
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.81
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.72
6GU6-chloroguanineA3FO40.75
6GU6-chloroguanineA3GOG0.75
6GU6-chloroguanineA3GER0.75
HPAHYPOXANTHINEA1PNR0.75
HPAHYPOXANTHINEA2EET0.75
HPAHYPOXANTHINEA2PUG0.75
HPAHYPOXANTHINEA1A9T0.75
HPAHYPOXANTHINEA1BDI0.75
HPAHYPOXANTHINEA1QQA0.75
HPAHYPOXANTHINEA1VFN0.75
HPAHYPOXANTHINEA1VPW0.75
HPAHYPOXANTHINEA2EEV0.75
HPAHYPOXANTHINEA1A9Q0.75
HPAHYPOXANTHINEA1A9R0.75
HPAHYPOXANTHINEA2EEU0.75
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.75
HPAHYPOXANTHINEA1JFT0.75
HPAHYPOXANTHINEA2EEW0.75
HPAHYPOXANTHINEA2PUD0.75
HPAHYPOXANTHINEA1QP70.75
HPAHYPOXANTHINEA,M1ZAY0.75
HPAHYPOXANTHINEA1JH90.75
HPAHYPOXANTHINEA2EES0.75
HPAHYPOXANTHINEA1JFS0.75
HPAHYPOXANTHINEA1QP00.75
HPAHYPOXANTHINEA1QPZ0.75
HPAHYPOXANTHINEA1U8D0.75
HPAHYPOXANTHINEA1QQB0.75
HPAHYPOXANTHINEA1BDH0.75
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.75
HPAHYPOXANTHINEA1QP40.75
HPAHYPOXANTHINEA,B,C3FNQ0.75
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
XANXANTHINEA3GAO0.73
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.73
XANXANTHINEA,B,C,D,E,F1YR30.73
XANXANTHINEA2UZ90.73
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.73
XANXANTHINEA,B,C,D1A960.73
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
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
4MZ4-METHYLIMIDAZOLEA1DTM0.75
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.75
4MZ4-METHYLIMIDAZOLEA2FNN0.75
4MZ4-METHYLIMIDAZOLEA1MOO0.75
4MZ4-METHYLIMIDAZOLEA1G0E0.75
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.76
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
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.76
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.76
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