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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00430436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.73
79Z5-cyclopropyl-2-(4-fluorophenyl)-
6-[(2-hydroxyethyl)(methylsulfonyl)amino]-
N-methyl-1-benzofuran-3-carboxamide		A3FQL0.71
79Z5-cyclopropyl-2-(4-fluorophenyl)-
6-[(2-hydroxyethyl)(methylsulfonyl)amino]-
N-methyl-1-benzofuran-3-carboxamide		A,B3FQK0.71
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID		A1WV10.73
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.73
DMBA,B1SRI0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.79
44CA2FBR0.82
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.71
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide		A,B,C,D3DEK0.73
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.77
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.77
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.76
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.79
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1RDT0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1FM90.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.75
MOBA,B1SRH0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
HABA,B1SRE0.74
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I1M0.72
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE		A2I0Y0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
MTBA,B1SRF0.72
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.71
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.73
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.73
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.74
UC2N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-
2-METHYL-3-FURAN-CARBOTHIAMIDE		A1RT50.7
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.73
DEOA,B1ROS0.7
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.74
ILBA2FPT0.77
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.7
OXIOXOLINIC ACIDA,B1KSE0.7
3FTA2BXV0.79
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
6CAA2FLM0.82
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.78
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.77
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.72
ILFA2FPY0.74
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE		A1OWI0.7
033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-
1,1'-BIPHENYL-4-YL}SULFONYL)-L-
VALINE		A,B,C,D1ZTQ0.71
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.72
DPAA,B1PIK0.74
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.74
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		L,P1MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		L,P2MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID		I,L1DZH0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.86
ILCA2FPV0.77
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
PH7(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-
2-PROPENOIC ACID		A1YVF0.72
BN27-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACIDA1WUT0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
A55N-[2-(4-AMINO-5,8-DIFLUORO-1,2-
DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-
FURAMIDE		A,B3E6O0.7
MHBA,B1SRG0.74
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.73
R6GRHODAMINE 6GB2V3L0.74
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.76
ILHA2FQI0.75
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.7
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.75
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.74
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.71
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE		A1JLG0.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE		A1RT40.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE		A,B1S1T0.72
UC12-METHYL-FURAN-3-CARBOTHIOIC ACID [4-
CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-
PHENYL]-AMIDE		A1S1W0.72
RHQRHODAMINE 6GA,B,D,E1JUS0.7
RHQRHODAMINE 6GA,B,D,E3BR50.7
RHQRHODAMINE 6GA,D,E3BR60.7
RHQRHODAMINE 6GA,B3D6Z0.7
RHQRHODAMINE 6GA1OY80.7
RHQRHODAMINE 6GA1T9V0.7
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.82
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID		A,B1Y0S0.7
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.76
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.75
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.74
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE		A1A540.74
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
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid		A,B2ZK50.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
FUN5-(AMINOSULFONYL)-4-CHLORO-2-[(2-
FURYLMETHYL)AMINO]BENZOIC ACID		A1Z9Y0.74
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.85
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.71
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.74
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID		A1DVY0.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.72
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.77
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.73
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.76
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73