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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03412798

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
2MI2-METHYL-1H-INDOLEA2PIO0.72
NTNISONICOTINAMIDINEA7ADH0.76
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
2AP2-AMINOPYRIDINEA1AEO0.72
MR31-METHYL-1H-PYRROLEX2OU00.75
3AP3-AMINOPYRIDINEA1AEF0.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.78
2862-ethenyl-1-methylpyridiniumX2RC20.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
5MP5-METHYLPYRROLEA1LI60.88
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.78
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.75
INDINDOLEA1L4H0.79
INDINDOLEA,B,G1O7N0.79
INDINDOLEA185L0.79
INDINDOLEA,B1EG90.79
INDINDOLEA,B1UUV0.79
INDINDOLEA,C,E2B240.79
INDINDOLEA,B,C,D,E,F2P850.79
4AP4-AMINOPYRIDINEA1AEG0.74
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
1UW60.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.78
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
ISQISOQUINOLINEA1GDK0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7