MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03357803

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
F79	2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4- FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	A	2EA4	0.73
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.92
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.92
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.92
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.72
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
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
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.74
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.74
159	2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID	A,B	1NME	0.71
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.82
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.75
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.79
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.71
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.7
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.75
MTB		A,B	1SRF	0.75
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.72
HAB		A,B	1SRE	0.77
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.79
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.79
MOB		A,B	1SRH	0.73
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.73
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.73
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.73
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.73
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.73
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.74
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.71
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.7
AA6	3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)- PHENYL]-2-METHYLAMINO-PROPIONIC ACID	E,I	1QR3	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.71
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.71
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.71
DMB		A,B	1SRI	0.76
NAB		A,B	1SRJ	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
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
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.76
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
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.78
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.73
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.71
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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.81
MHB		A,B	1SRG	0.78
NIY	META-NITRO-TYROSINE	A	2ADP	0.71
NIY	META-NITRO-TYROSINE	A	3DIV	0.71
NIY	META-NITRO-TYROSINE	A	2H5U	0.71
NIY	META-NITRO-TYROSINE	A	1K4Q	0.71
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.71
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.74
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.74
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.74
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.78
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.78
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.77
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.73