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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03127943

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
2AP2-AMINOPYRIDINEA1AEO0.72
3AP3-AMINOPYRIDINEA1AEF0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.74
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.7
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
2862-ethenyl-1-methylpyridiniumX2RC20.84
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ1
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA41
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P1
DA1PYRIDINE-2,5-DIAMINEA2AQD0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
D4GA,B,C,D2FDY0.81
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.7
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
ISQISOQUINOLINEA1GDK0.74
4AP4-AMINOPYRIDINEA1AEG0.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72