MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089612

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
DHK	3-DEHYDROSHIKIMATE	A	1WE2	0.75
DHK	3-DEHYDROSHIKIMATE	A,B	1SFJ	0.75
DHK	3-DEHYDROSHIKIMATE	A,B,C,D,E,F, G,H,I,J,K,L	1GTZ	0.75
DHK	3-DEHYDROSHIKIMATE	A	2O7Q	0.75
DHK	3-DEHYDROSHIKIMATE	A	2O7S	0.75
164	2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID	A	1R6W	0.77
PRE	PREPHENIC ACID	A,B,C,D,E,F, G,H,K	1COM	0.71
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	2O0X	0.75
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	1Q36	0.75
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B,C,D	1L9W	0.73
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B	1QFE	0.73
FA1	2,3 -ANHYDRO-QUINIC ACID	A	1H0R	0.78
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1GU1	0.78
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2C57	0.78
SPQ	(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2- FLUORO-1-(PHOSPHONOOXY)ETHYL]OXY}- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B,C,D	1RF4	0.75
TSO	(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B,C,D	2W1A	0.71
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A	2O0Z	0.78
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A,B,C,D	1QXO	0.78
GG9	(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2PQB	0.73
GG9	(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2PQD	0.73
GG9	(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2- DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]- 4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2PQ9	0.73
ATH	4-HYDROXY-ACONITATE ION	A	1FGH	0.72
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2IYR	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	3BAF	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	3DOO	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1U8A	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1ZUI	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2EV9	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B,C,D	2HK9	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2D5C	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYQ	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2AA9	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1ZYU	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2GPT	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2G1K	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2AAY	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYX	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2DFN	0.89
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYS	0.89
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0D	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2GGD	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2IYY	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2IYZ	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0E	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFQ	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	1G6T	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	1MI4	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	3FK1	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFT	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFU	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2GG6	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2GGA	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	1G6S	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	3FK0	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	3FJZ	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0B	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFS	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A,B,C,D	1RF6	0.82
S3P	SHIKIMATE-3-PHOSPHATE	A	3FJX	0.82
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	2PQC	0.76
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8T	0.76
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	1ECM	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2CHT	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	X	2GTV	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	H	1FIG	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	4CSM	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	3CSM	0.71
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	B	2FP2	0.71
FA3	2-ANHYDRO-3-FLUORO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1V1J	0.78
SC1	[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8R	0.76