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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02996314

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.71
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
DPAA,B1PIK0.7
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.75
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.82
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.7
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.78
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.7
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.75
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.81
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
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.79
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.76
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.74
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.79
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.73
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
ILCA2FPV0.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.77
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.77
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.78
NABA,B1SRJ0.74
SHASALICYLHYDROXAMIC ACIDX1V0H0.72
SHASALICYLHYDROXAMIC ACIDA2QPK0.72
SHASALICYLHYDROXAMIC ACIDA3FNL0.72
SHASALICYLHYDROXAMIC ACIDA3GCJ0.72
SHASALICYLHYDROXAMIC ACIDA1CK60.72
ILHA2FQI0.76
MHBA,B1SRG0.79
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.72
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.82
3XH3-Hydroxyhippuric acidA3E9K0.77
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
ILBA2FPT0.78
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.76
ANTANTHRAMYCINA274D0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.72
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.72
3FTA2BXV0.76
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.81
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A1Q7A0.76
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A,B2BXB0.76
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A2BXO0.76
IFAA,B3FC80.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.72
MTBA,B1SRF0.76
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate		A,B,C,D2VW50.71
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
DMBA,B1SRI0.79
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.75
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,D2VKM0.7
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.84
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.7
44CA2FBR0.73
N3PN-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-
2-CARBOXAMIDE		A,B,C,D2OT10.73
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.76
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.76
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.76
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.84
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
3MB3-METHOXYBENZAMIDEA3PAX0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.82
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
6CAA2FLM0.73
HABA,B1SRE0.79
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.77