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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00076018

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.72
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.8
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.79
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.79
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.74
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.82
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.73
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.71
CRIA,B1VKG0.7
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.75
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.72
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.72
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.76
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.8
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.7
MIY(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-
3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-
1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-
2-CARBOXAMIDE		A2DRD0.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.72
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.73
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.7
WH62-[(1R)-2-carboxy-1-(naphthalen-
1-ylmethyl)ethyl]-1,3-dioxo-2,3-
dihydro-1H-isoindole-5-carboxylic acid		A,B2R9X0.72
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE		A1ORK0.71
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.82
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.82
L04A1HFS0.71
VG6N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VJ70.72
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.71
95ATMC-95AD,F,G,H,I,L,
N,O,P		1JD20.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.7
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ70.71
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.72
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE		A,B,C,D2FUM0.7
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.71
23C2-[(1R)-1-carboxy-2-naphthalen-
1-ylethyl]-1,3-dioxo-2,3-dihydro-
1H-isoindole-5-carboxylic acid		A,B2R9W0.71
N3PN-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-
2-CARBOXAMIDE		A,B,C,D2OT10.7
RYU(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-
1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-
2,3'-BIINDOL-2'(1'H)-ONE		A2BHH0.74
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile		A3BNZ0.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.71
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.74
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.78