MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023854

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
MTY	META-TYROSINE	A	2TOH	0.73
MTY	META-TYROSINE	A,B	1BIQ	0.73
MTY	META-TYROSINE	A	1Q7O	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
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
NAB		A,B	1SRJ	0.72
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.79
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.85
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.85
MOB		A,B	1SRH	0.72
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.76
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.76
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.76
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.82
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.82
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.75
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.7
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.76
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.76
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.73
MTB		A,B	1SRF	0.73
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.81
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.77
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.72
HAB		A,B	1SRE	0.77
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.72
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.73
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.76
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.76
3FT		A	2BXV	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.77
DMB		A,B	1SRI	0.75
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.73
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
KYN	KYNURENINE	A,B,C,D	2R2N	0.7
KYN	KYNURENINE	A,B	3E2Z	0.7
KYN	KYNURENINE	A	1XT7	0.7
KYN	KYNURENINE	A	1T5M	0.7
KYN	KYNURENINE	A	1T5N	0.7
KYN	KYNURENINE	A	2VOV	0.7
KYN	KYNURENINE	A	2VOX	0.7
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.71
AVE	4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]- 3-trifluoromethoxybenzoic acid	A,B	3CEH	0.72
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.75
2AC	2-AMINO-P-CRESOL	A	1L4M	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.83
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.83
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.83
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
AA6	3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)- PHENYL]-2-METHYLAMINO-PROPIONIC ACID	E,I	1QR3	0.7
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.7
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.79
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.76
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.76
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.73
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.72
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.74
MHB		A,B	1SRG	0.77
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.94
3XH	3-Hydroxyhippuric acid	A	3E9K	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.72
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.73
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.79
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.73
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.73
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.78
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.72
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.75
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.75
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.75
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.75
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.75
296	(3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid	A,B	2RJS	0.7
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.73