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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02567950

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2I0T0.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,C,D,K,L,
M,N		2J570.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK40.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUR0.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2AGW0.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		A,B,H,L,M2J560.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2IUV0.74
TQQ(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-
7-OXO-1H-INDOL-3-YL)PROPANOIC ACID		D,H2OK60.74
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.76
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		B,D,E,H1Y180.71
HAN2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-
1-PENTANOIC ACID		A,D,E,F,H1Y0L0.71
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.77
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.74
4FW4-FLUOROTRYPTOPHANEA1RM90.72
FTRFLUOROTRYPTOPHANEA2JT80.72
FTRFLUOROTRYPTOPHANEA,B1NF00.72
FTRFLUOROTRYPTOPHANEA2JTZ0.72
FTRFLUOROTRYPTOPHANEA,B1I450.72
FTRFLUOROTRYPTOPHANEA,B2ZNX0.72
FTRFLUOROTRYPTOPHANEA,B1NEY0.72
FTRFLUOROTRYPTOPHANEA,B5FWG0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.76
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.76
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
CCK[1-(6-{6-[(1-methylethyl)amino]-
1H-indazol-1-yl}pyrazin-2-yl)-1H-
pyrrol-3-yl]acetic acid		X3E3B0.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.79
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.79
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
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1O0D0.7
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,B1MMP0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.74
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.74
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.74
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.74
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.7
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.74
IOPINDOLYLPROPIONIC ACIDA2OLI0.74
IOPINDOLYLPROPIONIC ACIDA,B2AY50.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.78
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.79
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.7
TRNNZ2-TRYPTOPHANA,B,C1AM70.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.73
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA		A2PE10.75
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.78
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.79
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.79
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.79
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.79
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,D,F,G,H,
J,K,L,N,O,P		2GC40.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,H,L,M2J550.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2Q7Q0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,G,I2H470.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG20.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,D,F,H,J,L,
N,P		2GC70.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2OJY0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2IUP0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGX0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJ40.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKR0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E,F2H3X0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,D,H2IUQ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,G1JMX0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2HJB0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,C,H,L2MTA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,D,H2OIZ0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M3C750.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH00.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,C1JJU0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		A,B,L,M1MDA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2HKM0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGY0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L,M2BBK0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		L2MAD0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AGL0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		B,C,E2IAA0.72
TRQ2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-
1H-INDOL-3-YL)-PROPIONIC ACID		D,H2AH10.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.72
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75