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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00734157

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NZA5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q5S0.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.71
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q610.71
DTE7-CL-D-TRYPTOPHANA2V7M0.73
IMNINDOMETHACINA2BXM0.7
IMNINDOMETHACINA3FO70.7
IMNINDOMETHACINA,B,C,D1Z9H0.7
IMNINDOMETHACINA2BXQ0.7
IMNINDOMETHACINA,B,C,D4COX0.7
IMNINDOMETHACINA2ALT0.7
IMNINDOMETHACINA2OTH0.7
IMNINDOMETHACINA,B2DM60.7
IMNINDOMETHACINA1S2A0.7
IMNINDOMETHACINA2ZB80.7
IMNINDOMETHACINA3HWZ0.7
IMNINDOMETHACINA2BXK0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.71
6CW6-CHLORO-L-TRYPTOPHANB2GV20.76
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.76
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.76
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.77
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID
A1ZYX0.83
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.76
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.71
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.7
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
CTE7-CHLOROTRYPTOPHANA2AR80.73
CTE7-CHLOROTRYPTOPHANA2V7L0.73
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.7
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,B1MMP0.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.71
238A2PRH0.72
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.72
IOPINDOLYLPROPIONIC ACIDA2OLI0.72
IOPINDOLYLPROPIONIC ACIDA,B2AY50.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
RID(3R,5R)-7-[2-(4-fluorophenyl)-5-
(1-methylethyl)-4-(morpholin-4-
ylsulfonyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
A,B,C,D3BGL0.71
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
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
C08difluoro(5-{2-[(5-octyl-1H-pyrrol-
2-yl-kappaN)methylidene]-2H-pyrrol-
5-yl-kappaN}pentanoato)boron
A,B2ZK60.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.73
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.71