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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02403353

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.7
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.81
NCX1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE-3-CARBOXAMIDE		A2O4Y0.75
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.75
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.9
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.9
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.71
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.76
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.7
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
N5P1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-
HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-
BETA-D-ERYTHRO-PENTOFURANOSYL}-
5-NITRO-1H-INDOLE		A,P,T2OZM0.85
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,K2OYQ0.85
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.75
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.75
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
4FW4-FLUOROTRYPTOPHANEA1RM90.74
TPLTRYPTOPHANOLA1EE70.78
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
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		B2J2I0.71
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		A1UU30.71
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
DL8N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-
YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE		A2PYI0.7
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1X380.73
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL		A1LQ20.73
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE		A1JHO0.76
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.77
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.77
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.77
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.77
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.77
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.77
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER		A1ID80.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
WSK(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-
9-YL)-3-(DIMETHYLAMINO)PROPAN-2-
OL		A1T840.71
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.77
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
SROSEROTONINA,B3BRN0.7
SROSEROTONINA2QEH0.7
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.75
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,B2VAQ0.71
1DA1-DEAZA-ADENOSINEA1ADD0.72
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.72
3ID3H-INDOLE-5,6-DIOLA1F9B0.7
3ID3H-INDOLE-5,6-DIOLA1OYO0.7
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE		A1L5K0.74
N5I1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-5-NITRO-
1H-INDOLE		A,C,E,F,I,J,K2OYQ0.86
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE		1,21EEK0.76
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
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		A2Q570.7
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		A1OXE0.7
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		A1OXD0.7
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.75
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.75
AD33-DEAZA-ADENOSINEA,B1KIE0.73
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.73
AD33-DEAZA-ADENOSINEA,B1R4F0.73
AD33-DEAZA-ADENOSINEA,B1HP00.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.73
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.73
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.73
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.77
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.77
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.7
4IN4-AMINO-L-TRYPTOPHANA1OXF0.7
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.79
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.72
NNRNicotinamide ribosideA2QT00.72
NNRNicotinamide ribosideA2QT10.72