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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01488229

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID		A1WV10.73
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.75
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.74
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE		A2PH60.75
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide		A2VIW0.73
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.7
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.73
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate		A,B,C,D3DEJ0.84
NNCO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate		A2VG50.71
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE		A1TKT0.77
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.71
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.7
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.75
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.78
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.72
IN0N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-
PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-
1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-
3-YL]-ACETYL}-ASPARTIC ACID		A,B,C1EZF0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.72
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE		A1RT70.84
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE		A2VIP0.74
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.79
IHUN-(2-CHLORO-4-FLUOROBENZOYL)-N'-
(5-HYDROXY-2-METHOXYPHENYL)UREA		A,B2ATI0.71
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.71
GWIN-({4-[({4-chloro-2-[(3-chloro-
5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-
3-methylphenyl}sulfonyl)propanamide		A3DOL0.71
GWJ2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-
N-(2-methyl-4-sulfamoylphenyl)acetamide		A3DOK0.71
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER		A1INC0.71
AVE4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-
3-trifluoromethoxybenzoic acid		A,B3CEH0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.75
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.83
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide		A,B3DMJ0.71
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide		A,B3DLG0.71
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide		A,B3DM20.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.74
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.71
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE		A1TL30.76
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.73
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.74
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.81
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.71
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.7
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide		A2VIV0.75
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.76
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.72
BN27-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACIDA1WUT0.77
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.73
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.79
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.7
AVF1-{2-[3-(2-Chloro-4,5-difluoro-
benzoyl)-ureido]-4-fluoro-phenyl}-
piperidine-4-carboxylic acid		A,B3CEJ0.7