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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00832241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.76
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.74
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.7
MMPN-METHYLMESOPORPHYRINL1N7M0.7
MMPN-METHYLMESOPORPHYRINB,H1NGW0.7
MMPN-METHYLMESOPORPHYRINA1C1H0.7
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.79
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6C0.72
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.82
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWK0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.74
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.74
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.74
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.72
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.76
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.76
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID		A1ZYX0.76
DTRD-TRYPTOPHANA,B,C,D2R3C0.73
DTRD-TRYPTOPHANA1XY80.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.73
DTRD-TRYPTOPHANA2V7K0.73
DTRD-TRYPTOPHANA,D1CZQ0.73
DTRD-TRYPTOPHANA1DFY0.73
DTRD-TRYPTOPHANA1XY50.73
DTRD-TRYPTOPHANA1NXN0.73
DTRD-TRYPTOPHANA1TKF0.73
DTRD-TRYPTOPHANA1YL90.73
DTRD-TRYPTOPHANA1XXZ0.73
DTRD-TRYPTOPHANA1XY40.73
DTRD-TRYPTOPHANA,D2Q3I0.73
DTRD-TRYPTOPHANA1QFB0.73
DTRD-TRYPTOPHANA1DFZ0.73
DTRD-TRYPTOPHANA1XY90.73
DTRD-TRYPTOPHANA1XY60.73
DTRD-TRYPTOPHANA2SOC0.73
DTRD-TRYPTOPHANA2JUE0.73
DTRD-TRYPTOPHANA1SOC0.73
DTRD-TRYPTOPHANA1YL80.73
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.73
DTRD-TRYPTOPHANA,B2Q330.73
DTRD-TRYPTOPHANA1DG00.73
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.81
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.7
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.74
PP9PROTOPORPHYRIN IXA1Z530.71
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.71
PP9PROTOPORPHYRIN IXA,B2QD50.71
PP9PROTOPORPHYRIN IXA1HRS0.71
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.75
QNDQUINALDIC ACIDA,B1IDA0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
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
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.72
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,D3BGL0.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.7
3IL3-(INDOL-3-YL) LACTATEA2A7P0.7
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.83
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.71
BRFA1UUO0.8
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
HR2(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-
ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-
HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-
YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,B,C,D2Q6B0.74
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.75
IOPINDOLYLPROPIONIC ACIDA2OLI0.75
IOPINDOLYLPROPIONIC ACIDA,B2AY50.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.75
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.7
C08difluoro(5-{2-[(5-octyl-1H-pyrrol-
2-yl-kappaN)methylidene]-2H-pyrrol-
5-yl-kappaN}pentanoato)boron		A,B2ZK60.78
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.75
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.71
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D2Q1L0.73
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D3CD70.73
RIE(3R,5R)-7-[1-(4-fluorophenyl)-4-
(1-methylethyl)-3-{methyl[(1R)-
1-phenylethyl]carbamoyl}-1H-pyrazol-
5-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D2R4F0.7
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72