MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027746

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
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	2D55	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	1DSC	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1A7Z	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1OVF	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	C,D	1MNV	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C,D	1I3W	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C	1A7Y	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	173D	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B	1FJA	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A	1DSD	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	B	1L1V	0.72
PXZ	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE	A,B,C	1QFI	0.72
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.76
MHB		A,B	1SRG	0.82
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
NAB		A,B	1SRJ	0.77
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.71
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.75
MTB		A,B	1SRF	0.78
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.71
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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.85
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.73
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.77
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.71
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.72
NIY	META-NITRO-TYROSINE	A	2ADP	0.72
NIY	META-NITRO-TYROSINE	A	3DIV	0.72
NIY	META-NITRO-TYROSINE	A	2H5U	0.72
NIY	META-NITRO-TYROSINE	A	1K4Q	0.72
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.72
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.72
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.72
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.72
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.76
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.72
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.72
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.72
3XH	3-Hydroxyhippuric acid	A	3E9K	0.72
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.72
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.72
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	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
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.76
MOB		A,B	1SRH	0.75
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
ACJ	5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID	A,B	2IVD	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.73
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.75
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.72
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.76
6CA		A	2FLM	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.73
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.73
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.7
HAB		A,B	1SRE	0.82
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.71
DTY	D-TYROSINE	A	1C4B	0.7
DTY	D-TYROSINE	A,L	1ZEA	0.7
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.7
DTY	D-TYROSINE	A,B	1UNO	0.7
DTY	D-TYROSINE	A	2IGZ	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.7
DTY	D-TYROSINE	A,B	2Q33	0.7
DTY	D-TYROSINE	H,S	2H9E	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.7
DTY	D-TYROSINE	A	2IH0	0.7
DTY	D-TYROSINE	A	1D7T	0.7
DTY	D-TYROSINE	A,B	1XA0	0.7
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.71
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.71
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.77
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.84
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.84
44C		A	2FBR	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
617	2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID	A	2QE5	0.71
296	(3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid	A,B	2RJS	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.72
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
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1Q0B	0.72
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1X88	0.72
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.71
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.73
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.79
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.7
KYN	KYNURENINE	A,B,C,D	2R2N	0.73
KYN	KYNURENINE	A,B	3E2Z	0.73
KYN	KYNURENINE	A	1XT7	0.73
KYN	KYNURENINE	A	1T5M	0.73
KYN	KYNURENINE	A	1T5N	0.73
KYN	KYNURENINE	A	2VOV	0.73
KYN	KYNURENINE	A	2VOX	0.73
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
DMB		A,B	1SRI	0.8
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.72
2AC	2-AMINO-P-CRESOL	A	1L4M	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.94
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.94
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72