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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
ISQISOQUINOLINEA1GDK0.71
4AP4-AMINOPYRIDINEA1AEG0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
2AP2-AMINOPYRIDINEA1AEO0.73
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
5MP5-METHYLPYRROLEA1LI60.89
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
2862-ethenyl-1-methylpyridiniumX2RC20.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
INDINDOLEA1L4H0.78
INDINDOLEA,B,G1O7N0.78
INDINDOLEA185L0.78
INDINDOLEA,B1EG90.78
INDINDOLEA,B1UUV0.78
INDINDOLEA,C,E2B240.78
INDINDOLEA,B,C,D,E,F2P850.78
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
2MI2-METHYL-1H-INDOLEA2PIO0.71
NTNISONICOTINAMIDINEA7ADH0.77
3AP3-AMINOPYRIDINEA1AEF0.76
MR31-METHYL-1H-PYRROLEX2OU00.76
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77