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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
TPLTRYPTOPHANOLA1EE70.75
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.72
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
3AP3-AMINOPYRIDINEA1AEF0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.74
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.79
2MI2-METHYL-1H-INDOLEA2PIO0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
PYCPYRROLE-2-CARBOXYLATEA1W620.71
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.71
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.71
PYCPYRROLE-2-CARBOXYLATEA,B1W610.71
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.74
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
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
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.75
INDINDOLEA1L4H0.8
INDINDOLEA,B,G1O7N0.8
INDINDOLEA185L0.8
INDINDOLEA,B1EG90.8
INDINDOLEA,B1UUV0.8
INDINDOLEA,C,E2B240.8
INDINDOLEA,B,C,D,E,F2P850.8
5MP5-METHYLPYRROLEA1LI60.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.77
2862-ethenyl-1-methylpyridiniumX2RC20.75
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.79
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.79
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.73
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.72
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.72
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.72
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.72
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.72
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.72
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
4AP4-AMINOPYRIDINEA1AEG0.74
LTNL-TRYPTOPHANAMIDEA1MAU0.74
LTNL-TRYPTOPHANAMIDEA,B2QUI0.74
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7