MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02862178

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
3XH	3-Hydroxyhippuric acid	A	3E9K	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
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
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.73
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
KYN	KYNURENINE	A,B,C,D	2R2N	0.76
KYN	KYNURENINE	A,B	3E2Z	0.76
KYN	KYNURENINE	A	1XT7	0.76
KYN	KYNURENINE	A	1T5M	0.76
KYN	KYNURENINE	A	1T5N	0.76
KYN	KYNURENINE	A	2VOV	0.76
KYN	KYNURENINE	A	2VOX	0.76
NAB		A,B	1SRJ	0.77
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.75
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.72
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.7
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.71
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.79
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.79
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.79
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.79
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.79
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.75
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.75
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.75
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.85
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.92
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.92
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.79
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.71
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.71
2AF	2-AMINOPHENOL	A	1L4N	0.71
TYB	TYROSINAL	A,B	1KDZ	0.71
TYB	TYROSINAL	A	1Q11	0.71
TYB	TYROSINAL	A,B	2J5B	0.71
TYB	TYROSINAL	A,I	1GA4	0.71
TYB	TYROSINAL	A,B,C	1NLU	0.71
TYB	TYROSINAL	A,B	1KE1	0.71
TYB	TYROSINAL	A,B	1H3F	0.71
TYB	TYROSINAL	A,B	1H3E	0.71
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.82
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.82
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.76
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.7
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.7
YOF	3-FLUOROTYROSINE	A	1RRX	0.7
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.71
MHB		A,B	1SRG	0.81
ANT	ANTHRAMYCIN	A	274D	0.72
TYC	L-TYROSINAMIDE	A	2BF9	0.71
TYC	L-TYROSINAMIDE	A	2OCI	0.71
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
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.72
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.78
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.8
DTY	D-TYROSINE	A	1C4B	0.72
DTY	D-TYROSINE	A,L	1ZEA	0.72
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.72
DTY	D-TYROSINE	A,B	1UNO	0.72
DTY	D-TYROSINE	A	2IGZ	0.72
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.72
DTY	D-TYROSINE	A,B	2Q33	0.72
DTY	D-TYROSINE	H,S	2H9E	0.72
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.72
DTY	D-TYROSINE	A	2IH0	0.72
DTY	D-TYROSINE	A	1D7T	0.72
DTY	D-TYROSINE	A,B	1XA0	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.75
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.73
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.79
HAB		A,B	1SRE	0.82
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
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
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.73
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.8
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.71
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
DMB		A,B	1SRI	0.8
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
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.78
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.77
2AC	2-AMINO-P-CRESOL	A	1L4M	0.77
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.71
IYR	3-IODO-TYROSINE	A	2D98	0.7
IYR	3-IODO-TYROSINE	A	2D8P	0.7
IYR	3-IODO-TYROSINE	A,B	3GFD	0.7
IYR	3-IODO-TYROSINE	A	2R1Q	0.7
IYR	3-IODO-TYROSINE	A	2ZP1	0.7
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.7
IYR	3-IODO-TYROSINE	C	1CF0	0.7
IYR	3-IODO-TYROSINE	A	1XXZ	0.7
IYR	3-IODO-TYROSINE	A	2D97	0.7
IYR	3-IODO-TYROSINE	A	1XY9	0.7
IYR	3-IODO-TYROSINE	A	2Z10	0.7
IYR	3-IODO-TYROSINE	A	1WQ3	0.7
IYR	3-IODO-TYROSINE	A	2D8O	0.7
IYR	3-IODO-TYROSINE	A	2D8W	0.7
IYR	3-IODO-TYROSINE	A	2Z11	0.7
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.75