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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00493418

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION		H1A6W0.78
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.75
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.77
HFTHYDROXYFLUTAMIDEA2AX60.7
P283',5'-DINITRO-N-ACETYL-L-THYRONINEA,B2ROY0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.74
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.73
MTBA,B1SRF0.72
TY23-AMINO-L-TYROSINEA,B2VH30.72
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.71
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.74
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.7
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
NIYMETA-NITRO-TYROSINEA2ADP0.77
NIYMETA-NITRO-TYROSINEA3DIV0.77
NIYMETA-NITRO-TYROSINEA2H5U0.77
NIYMETA-NITRO-TYROSINEA1K4Q0.77
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.77
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.7
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE		A,B,C,D2FUM0.71
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
HABA,B1SRE0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.7
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.8
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.8
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.74
ILBA2FPT0.7
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X		1KYI0.72
LVS4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-
LEUCINYL-LEUCINYL-VINYLSULFONE		A,B,C,G,H,I,
L,M,N		1OFI0.72
IHUN-(2-CHLORO-4-FLUOROBENZOYL)-N'-
(5-HYDROXY-2-METHOXYPHENYL)UREA		A,B2ATI0.71
B67(2S)-2-hydroxy-2-methyl-N-[4-nitro-
3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide		A3B670.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.72
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.8
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.78
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AX80.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AX70.72
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AXA0.72
MHBA,B1SRG0.73
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE		A1ORK0.71
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide		A3B680.72
DMBA,B1SRI0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.73
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.73
3FTA2BXV0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.71
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.72
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.72
ANTANTHRAMYCINA274D0.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
CRIA,B1VKG0.71
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION		H,I,J1A6V0.81
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.78
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
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE		A1H1D0.74
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.82
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.82
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.7
AMYANTIMYCINC,D,E3BCC0.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.77
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE		A,B,C,D,E,F2P6F0.74
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.71
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.76
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,C,D,E,N,P,
Q,R		3H1I0.72
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73