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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02818024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
6MP6-METHYLPURINEA,B,C1OU40.71
6MP6-METHYLPURINEA,B,C1OTY0.71
6MP6-METHYLPURINEA2PUA0.71
A2F2-fluoroadenineA3GOT0.72
A2F2-fluoroadenineA,B,C3GB90.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.73
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.73
L213-(3-methylbut-2-en-1-yl)-3H-purin-
6-amine
A,B2W6Z0.74
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.72
ADEADENINEA1WEI0.74
ADEADENINEA2QLU0.74
ADEADENINEA,B2H8G0.74
ADEADENINEA,B1HQC0.74
ADEADENINEA1AHA0.74
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.74
ADEADENINEA,B,D1YXM0.74
ADEADENINEA1CB00.74
ADEADENINEA,B2QTT0.74
ADEADENINEA,B,C1XE80.74
ADEADENINEA,B1M2T0.74
ADEADENINEA2P8N0.74
ADEADENINEA,B,C2PQJ0.74
ADEADENINEA,B,C1VRL0.74
ADEADENINEA,B3BSF0.74
ADEADENINEX1Y260.74
ADEADENINEA,B1ZN70.74
ADEADENINEA,B1Z5N0.74
ADEADENINEA1QB70.74
ADEADENINEA1LU10.74
ADEADENINEA,B1Q8Y0.74
ADEADENINEA2QES0.74
ADEADENINEA2PUB0.74
ADEADENINEA1Z8D0.74
ADEADENINEA1JH80.74
ADEADENINEA1QD20.74
ADEADENINEA2ICS0.74
ADEADENINEA1IFS0.74
ADEADENINEA1NLI0.74
ADEADENINEA,B1D2A0.74
ADEADENINEA1GIU0.74
ADEADENINEA1J1R0.74
ADEADENINEA2QET0.74
ADEADENINEA,B,C1OD40.74
ADEADENINEA,B1QCI0.74
ADEADENINEA,B,C,D,E,F2GA40.74
ADEADENINEA,B1JYS0.74
ADEADENINEA1LPD0.74
ADEADENINEA,B1OD20.74
ADEADENINEA1WTA0.74
ADEADENINEA,B,C1S2D0.74
ADEADENINEA1MUD0.74
ADEADENINEA2PUE0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.74
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.74
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
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.75
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
3MA6-AMINO-3-METHYLPURINEA3MAG0.76
M1A6-AMINO-1-METHYLPURINEA1B420.76
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.89
4MZ4-METHYLIMIDAZOLEA1DTM0.72
4MZ4-METHYLIMIDAZOLEA,B1KEQ0.72
4MZ4-METHYLIMIDAZOLEA2FNN0.72
4MZ4-METHYLIMIDAZOLEA1MOO0.72
4MZ4-METHYLIMIDAZOLEA1G0E0.72
HSMHISTAMINEA,B1U180.7
HSMHISTAMINEA1AVN0.7
HSMHISTAMINEA,B1KAR0.7
HSMHISTAMINEA,B1NP10.7
HSMHISTAMINEA,B1JQD0.7
HSMHISTAMINEA,B2QEB0.7
HSMHISTAMINEA,B1QFV0.7
HSMHISTAMINEA1IKE0.7
HSMHISTAMINEA3BU10.7
HSMHISTAMINEA,B1QFT0.7
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
6AP9H-PURINE-2,6-DIAMINEA2B570.74
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.79