MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217554

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.77
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.7
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.73
797	3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL- 6-OL	A,B	1U3S	0.7
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.75
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.72
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.7
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.74
6CA		A	2FLM	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.73
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.71
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.71
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.8
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.8
MIX	1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE	A,B,C,D	2FUM	0.71
44C		A	2FBR	0.71
MHB		A,B	1SRG	0.81
NAB		A,B	1SRJ	0.85
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.72
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.7
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.74
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.74
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.82
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.78
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
FHI		A,B	1Y1D	0.72
HAB		A,B	1SRE	0.8
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.77
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.77
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.77
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.77
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.73
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.73
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.71
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.7
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.72
IFA		A,B	3FC8	0.7
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.72
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.78
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.73
N3P	N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE	A,B,C,D	2OT1	0.73
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.7
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.74
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.74
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.74
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.74
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.74
MTB		A,B	1SRF	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.7
DMB		A,B	1SRI	0.82
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.7
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.72
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.81
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.81
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.81
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.71
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.7
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.7
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.71
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.71
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.71
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.71
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.73
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.76