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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01297352

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
INDINDOLEA1L4H0.84
INDINDOLEA,B,G1O7N0.84
INDINDOLEA185L0.84
INDINDOLEA,B1EG90.84
INDINDOLEA,B1UUV0.84
INDINDOLEA,C,E2B240.84
INDINDOLEA,B,C,D,E,F2P850.84
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.73
TPLTRYPTOPHANOLA1EE70.75
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.84
4FW4-FLUOROTRYPTOPHANEA1RM90.72
FTRFLUOROTRYPTOPHANEA2JT80.72
FTRFLUOROTRYPTOPHANEA,B1NF00.72
FTRFLUOROTRYPTOPHANEA2JTZ0.72
FTRFLUOROTRYPTOPHANEA,B1I450.72
FTRFLUOROTRYPTOPHANEA,B2ZNX0.72
FTRFLUOROTRYPTOPHANEA,B1NEY0.72
FTRFLUOROTRYPTOPHANEA,B5FWG0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.71
LTNL-TRYPTOPHANAMIDEA1MAU0.76
LTNL-TRYPTOPHANAMIDEA,B2QUI0.76
2862-ethenyl-1-methylpyridiniumX2RC20.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.83
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
X2P3G0.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
4AP4-AMINOPYRIDINEA1AEG0.83
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
D4GA,B,C,D2FDY0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.72
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.83
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.76
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.76
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.74
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.77
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.74
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.74
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.74
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.74
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.74
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.72
BZIBENZIMIDAZOLEA1RYC0.73
BZIBENZIMIDAZOLEA1L5F0.73
BZIBENZIMIDAZOLEA1KXM0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.83
APY2-AMINOMETHYL-PYRIDINEI1IVP0.83
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.7
2MI2-METHYL-1H-INDOLEA2PIO0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
ISQISOQUINOLINEA1GDK0.7
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.77
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
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.84
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.84
5MP5-METHYLPYRROLEA1LI60.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.84
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
3AP3-AMINOPYRIDINEA1AEF0.83
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL
A2QHW0.71
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
2AP2-AMINOPYRIDINEA1AEO0.76
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.75
RBUA,B1BEX0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.71
NTNISONICOTINAMIDINEA7ADH0.73