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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00302492

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.73
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.73
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.73
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.73
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID		B2G260.72
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE		A,B2G270.72
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.73
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,P,T2OZM0.78
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,C,E,F,I,J,K2OYQ0.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.75
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.75
858C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCINA,D1QPF0.7
TPLTRYPTOPHANOLA1EE70.74
NQIN~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-
HYDROXY-4-OXOBUTANOYL]AMINO}PENT-
4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE		A2NQI0.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.83
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.83
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.79
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER		A1ID80.7
FRNA2CV30.71
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1X380.7
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1LQ20.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.79
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.72
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE		1,21EEK0.7
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.7
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.73
INDINDOLEA1L4H0.72
INDINDOLEA,B,G1O7N0.72
INDINDOLEA185L0.72
INDINDOLEA,B1EG90.72
INDINDOLEA,B1UUV0.72
INDINDOLEA,C,E2B240.72
INDINDOLEA,B,C,D,E,F2P850.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.73
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate		A,B2VAQ0.75
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.76
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
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
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.72
DL8N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-
YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE		A2PYI0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.74
DTRD-TRYPTOPHANA1XY80.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.74
DTRD-TRYPTOPHANA2V7K0.74
DTRD-TRYPTOPHANA,D1CZQ0.74
DTRD-TRYPTOPHANA1DFY0.74
DTRD-TRYPTOPHANA1XY50.74
DTRD-TRYPTOPHANA1NXN0.74
DTRD-TRYPTOPHANA1TKF0.74
DTRD-TRYPTOPHANA1YL90.74
DTRD-TRYPTOPHANA1XXZ0.74
DTRD-TRYPTOPHANA1XY40.74
DTRD-TRYPTOPHANA,D2Q3I0.74
DTRD-TRYPTOPHANA1QFB0.74
DTRD-TRYPTOPHANA1DFZ0.74
DTRD-TRYPTOPHANA1XY90.74
DTRD-TRYPTOPHANA1XY60.74
DTRD-TRYPTOPHANA2SOC0.74
DTRD-TRYPTOPHANA2JUE0.74
DTRD-TRYPTOPHANA1SOC0.74
DTRD-TRYPTOPHANA1YL80.74
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
DTRD-TRYPTOPHANA,B2Q330.74
DTRD-TRYPTOPHANA1DG00.74
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.74
5ZA(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-
3-(2-HYDROXYETHYL)-3,5-DIHYDRO-
4H-IMIDAZOL-4-ONE		A1OXF0.71
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE		A1JHO0.71
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.71
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID		A1KNU0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.73
FTRFLUOROTRYPTOPHANEA2JT80.73
FTRFLUOROTRYPTOPHANEA,B1NF00.73
FTRFLUOROTRYPTOPHANEA2JTZ0.73
FTRFLUOROTRYPTOPHANEA,B1I450.73
FTRFLUOROTRYPTOPHANEA,B2ZNX0.73
FTRFLUOROTRYPTOPHANEA,B1NEY0.73
FTRFLUOROTRYPTOPHANEA,B5FWG0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.74
IOPINDOLYLPROPIONIC ACIDA2OLI0.74
IOPINDOLYLPROPIONIC ACIDA,B2AY50.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE		A,B1M7A0.72
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.72
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.73
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.75
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.75
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.73
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.73
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.7
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.7
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A1DMT0.73
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DWB0.73
RDFN-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-
L-LEUCYL-L-TRYPTOPHAN		A3DBK0.73
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.73
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE		A,C,E,F,I,J,K2OYQ0.78
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.7
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.74
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.74
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.71
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER		A2BRP0.7
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
NCX1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE-3-CARBOXAMIDE		A2O4Y0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.73
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.73
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.74
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.75
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.76
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.74
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74