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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01565526

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.7
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.73
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.73
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide		A,B,C,D3DEK0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.75
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.72
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.84
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
BSDN-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
5-[methyl(methylsulfonyl)amino]-
N'-[(1R)-1-phenylethyl]benzene-
1,3-dicarboxamide		A,B,C,D2VKM0.71
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate		A,P,Q3D1F0.7
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.83
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.75
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
3BN3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-
(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-
5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE		A2B8V0.7
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.83
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE		A1OWI0.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.75
CRIA,B1VKG0.74
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.76
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE		A1TKT0.72
U02[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-
2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-
METHYL}-PHENYLCARBAMOYL)-ETHYL]-
CARBAMIC ACID TERT-BUTYL ESTER		A2UPJ0.73
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.74
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.7
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.73
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.73
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
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,C1EZF0.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.7
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.74
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID		A1YW80.7
GK3N-(3-cyanophenyl)-2'-methyl-5'-
(5-methyl-1,3,4-oxadiazol-2-yl)-
4-biphenylcarboxamide		A2ZB00.76
N3PN-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-
2-CARBOXAMIDE		A,B,C,D2OT10.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.76
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.75
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.76
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE		A,B2Q540.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.8
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE		A1RT70.76
RHQRHODAMINE 6GA,B,D,E1JUS0.72
RHQRHODAMINE 6GA,B,D,E3BR50.72
RHQRHODAMINE 6GA,D,E3BR60.72
RHQRHODAMINE 6GA,B3D6Z0.72
RHQRHODAMINE 6GA1OY80.72
RHQRHODAMINE 6GA1T9V0.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.73
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.71
44CA2FBR0.75
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.83
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.83
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.7
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE		A1TL30.71
3FTA2BXV0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.79
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.7
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.75
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.71
R6GRHODAMINE 6GB2V3L0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.7
FEXA1OSH0.71
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid		A3EB10.74
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.76
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.79
FDN(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-
5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE		C,D,E2FYU0.7
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.7
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE		A2PH60.79
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.71
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER		A2F6V0.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.71
6CAA2FLM0.75
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.8
ILBA2FPT0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.74
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.75
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,D3DEJ0.79
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		L,P1MPA0.7
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		L,P2MPA0.7
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		I,L1DZH0.7
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE		A1OWE0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73