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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00561822

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.72
DMBA,B1SRI0.77
HABA,B1SRE0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
ATC9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-
6-DEMETHYL-TETRACYCLINE		A1ORK0.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
ANTANTHRAMYCINA274D0.73
P9C3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-
1,6-dimethyl-2-oxo-4-phenyldecahydro-
6,9-epoxy-4a,7-methanobenzo[7]annulen-
1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid		A3G110.71
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.79
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.74
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.7
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.83
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.83
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.74
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.75
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.78
TY23-AMINO-L-TYROSINEA,B2VH30.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.7
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
6CAA2FLM0.78
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
BIA1-(3,4,DIHYDROXY-5-NITROPHENYL)-
3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-
1-YL}PROPAN-1-ONE		A1H1D0.7
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.74
NABA,B1SRJ0.76
MTBA,B1SRF0.79
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.75
MHBA,B1SRG0.75
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.7
NBQ2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)TYROSINE		A1SII0.71
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.71
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		3H1I0.7
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		1PPJ0.7
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.78
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.75
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
N3PN-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-
2-CARBOXAMIDE		A,B,C,D2OT10.72
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.75
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.76
AMYANTIMYCINC,D,E3BCC0.7
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID		A1DVY0.7
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.75
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.71
P9A3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-
dimethyl-2-oxodecahydro-6,9-epoxy-
4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-
2,4-dihydroxybenzoic acid		A3G0Y0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.74
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.71
44CA2FBR0.78
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.71
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE		A,B,C,D2FUM0.77
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.72
3FTA2BXV0.7
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		2QJP0.7
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		2QJK0.7
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.79
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71