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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00591614

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
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
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.73
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.73
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1XWS0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIK0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1ZRZ0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		B2BIL0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UU80.72
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.71
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.7
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.72
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK30.73
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK70.73
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide		A,B3DK60.73
NQIN~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-
HYDROXY-4-OXOBUTANOYL]AMINO}PENT-
4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE		A2NQI0.71
NQG5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-
2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-
L-ARGINYL-L-TRYPTOPHANAMIDE		A2NQG0.7
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.7
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE		A1UU90.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.71
FRNA2CV30.71
TYMTRYPTOPHANYL-5'AMPA,B2QUJ0.73
TYMTRYPTOPHANYL-5'AMPA1I6K0.73
TYMTRYPTOPHANYL-5'AMPA,B1R6U0.73
TYMTRYPTOPHANYL-5'AMPA1I6M0.73
TYMTRYPTOPHANYL-5'AMPA,B1R6T0.73
TYMTRYPTOPHANYL-5'AMPA1I6L0.73
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		A2Q570.71
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		A1OXE0.71
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		A1OXD0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.74
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.7
DTE7-CL-D-TRYPTOPHANA2V7M0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
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
WSA5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINEA,B,C,D2YY50.71
4F3[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(4-FLUORO-1H-INDOL-3-YLMETHYL)-
5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID		A1RM90.72
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.76
IOPINDOLYLPROPIONIC ACIDA2OLI0.76
IOPINDOLYLPROPIONIC ACIDA,B2AY50.76
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN		A2OC20.71
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide		A,B3FQH0.73
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.72
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.74
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
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
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.72
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A1UU70.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
LY32-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-
5-YL)-BUTYRIC ACID		A,B1JTQ0.73
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide		A3D3P0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.75
4IN4-AMINO-L-TRYPTOPHANA1OXF0.75
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE		A,B1SZM0.71
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.7
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.71
TRNNZ2-TRYPTOPHANA,B,C1AM70.72
CO91-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-
4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN		A2OPY0.7
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.74
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.74
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE		A,B1MFP0.71
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.71
3IL3-(INDOL-3-YL) LACTATEA2A7P0.73
TPLTRYPTOPHANOLA1EE70.71
CTE7-CHLOROTRYPTOPHANA2AR80.7
CTE7-CHLOROTRYPTOPHANA2V7L0.7
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		B2J2I0.7
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		A1UU30.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
4HT4-HYDROXYTRYPTOPHANH,L1RU90.71
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.71
6CW6-CHLORO-L-TRYPTOPHANB2GV20.72
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.72
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.74
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.74
1001-(5-CHLOROINDOL-3-YL)-3-HYDROXY-
3-(2H-TETRAZOL-5-YL)-PROPENONE		A,B,C1QS40.7