MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727807

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
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.75
DMB		A,B	1SRI	0.72
DPA		A,B	1PIK	0.7
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
RDE	2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE	A,B	2FYP	0.7
RDE	2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE	A	1ZWH	0.7
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.8
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.8
6CA		A	2FLM	0.71
VXX	VANILLATE	A,B	1WB6	0.7
HAB		A,B	1SRE	0.74
AVE	4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]- 3-trifluoromethoxybenzoic acid	A,B	3CEH	0.76
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.89
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.75
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
PX1	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)- 2-IMINO-4,6-DIMETHYL-3-OXO-2,3- DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1UNJ	0.72
PX1	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)- 2-IMINO-4,6-DIMETHYL-3-OXO-2,3- DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE	A,B,C,D,E,F	1UNM	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.75
F79	2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4- FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	A	2EA4	0.7
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.71
2AC	2-AMINO-P-CRESOL	A	1L4M	0.71
ILB		A	2FPT	0.72
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.72
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.72
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.72
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.72
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.72
D55	4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide	A	2VIQ	0.72
MOB		A,B	1SRH	0.74
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.7
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
617	2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID	A	2QE5	0.72
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.78
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
194	4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID	A	1Z6P	0.72
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.73
IHU	N-(2-CHLORO-4-FLUOROBENZOYL)-N'- (5-HYDROXY-2-METHOXYPHENYL)UREA	A,B	2ATI	0.71
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.7
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.77
3FT		A	2BXV	0.74
MHB		A,B	1SRG	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.74
296	(3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid	A,B	2RJS	0.74
R37	3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE	A	1LF2	0.7
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	0.76
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.76
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.76
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.76
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.73
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.8
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.8
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.8
MTB		A,B	1SRF	0.71
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.72
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.75
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.77
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	2D55	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	1DSC	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1A7Z	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1OVF	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	C,D	1MNV	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C,D	1I3W	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C	1A7Y	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	173D	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1FJA	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	1DSD	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	B	1L1V	0.71
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C	1QFI	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
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.78
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
MTJ	N,O-DIMETHYL-L-TYROSINE	A,B	1ATL	0.71
44C		A	2FBR	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.7
ILH		A	2FQI	0.7
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.81
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.81
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.75
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.75
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.75
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.76
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.7
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
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.77