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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00587388

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
DMBA,B1SRI0.77
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
NABA,B1SRJ0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.76
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.78
HABA,B1SRE0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.78
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
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
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.74
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.75
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.79
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.76
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.76
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.73
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.76
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
ILHA2FQI0.71
ILBA2FPT0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.7
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
3XH3-Hydroxyhippuric acidA3E9K0.72
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.72
MTBA,B1SRF0.74
MHBA,B1SRG0.76
CRIA,B1VKG0.72
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.79
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.78
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
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
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.77
3FTA2BXV0.73
6CAA2FLM0.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX80.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX70.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AXA0.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.76
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.76
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.77
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
44CA2FBR0.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE
A1H1D0.73
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.8
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.8