MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03320227

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
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.73
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.75
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.73
NIY	META-NITRO-TYROSINE	A	2ADP	0.74
NIY	META-NITRO-TYROSINE	A	3DIV	0.74
NIY	META-NITRO-TYROSINE	A	2H5U	0.74
NIY	META-NITRO-TYROSINE	A	1K4Q	0.74
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.74
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.75
194	4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID	A	1Z6P	0.73
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.7
NIP	4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION	H	1A6W	0.7
MHB		A,B	1SRG	0.8
MOB		A,B	1SRH	0.7
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.7
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.7
DMB		A,B	1SRI	0.78
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.71
NAB		A,B	1SRJ	0.78
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.73
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.73
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.73
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.73
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.73
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.74
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.74
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.77
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	4LBD	0.7
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.7
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.73
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.71
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.71
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.72
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.75
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.73
BD2	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE	A	1RE8	0.7
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.74
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.7
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.72
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.72
HAB		A,B	1SRE	0.8
6CA		A	2FLM	0.72
CNO	2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID	A,B,C,D	1K0Y	0.71
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.75
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.75
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.72
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.71
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.7
MTB		A,B	1SRF	0.79
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.74
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.74
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.74
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.74
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.74
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.74
44C		A	2FBR	0.72
394	R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXA	0.7
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.75
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.74
UA1	N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE	A	2I4H	0.71
UA1	N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE	A	2I4G	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.73
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.73
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.73
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.73
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.73
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.77
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
3FT		A	2BXV	0.7
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.74
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.74