MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078370

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
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1MFV	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1NM9	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1CPU	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1MFU	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1PIG	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	X	1Z32	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	X	3BLP	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	3BLK	0.7
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	3DHP	0.7
UNG	4-O-(4-DEOXY-BETA-L-THREO-HEX-4- ENOPYRANURONOSYL)-ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVI	0.71
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B,C,D	1L9W	0.75
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B	1QFE	0.75
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	0.77
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0D	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2GGD	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2IYY	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2IYZ	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0E	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFQ	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	1G6T	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	1MI4	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	3FK1	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFT	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFU	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2GG6	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2GGA	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	1G6S	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	3FK0	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	3FJZ	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2O0B	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	2QFS	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A,B,C,D	1RF6	0.84
S3P	SHIKIMATE-3-PHOSPHATE	A	3FJX	0.84
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	1ECM	0.73
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	0.73
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	X	2GTV	0.73
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	H	1FIG	0.73
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	4CSM	0.73
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	3CSM	0.73
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	B	2FP2	0.73
FA3	2-ANHYDRO-3-FLUORO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1V1J	0.8
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	2O0X	0.77
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	1Q36	0.77
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	2PQC	0.78
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8T	0.78
164	2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID	A	1R6W	0.75
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	0.75
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	0.75
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	0.75
UNF	4-O-(4-deoxy-beta-L-threo-hex-4- enopyranuronosyl)-beta-D-galactopyranuronic acid	A,B	2VZQ	0.71
UNF	4-O-(4-deoxy-beta-L-threo-hex-4- enopyranuronosyl)-beta-D-galactopyranuronic acid	A	2W47	0.71
DHK	3-DEHYDROSHIKIMATE	A	1WE2	0.77
DHK	3-DEHYDROSHIKIMATE	A,B	1SFJ	0.77
DHK	3-DEHYDROSHIKIMATE	A,B,C,D,E,F, G,H,I,J,K,L	1GTZ	0.77
DHK	3-DEHYDROSHIKIMATE	A	2O7Q	0.77
DHK	3-DEHYDROSHIKIMATE	A	2O7S	0.77
SC1	[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8R	0.78
ATH	4-HYDROXY-ACONITATE ION	A	1FGH	0.72
PUL		A	2C78	0.7
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2IYR	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	3BAF	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	3DOO	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1U8A	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1ZUI	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2EV9	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B,C,D	2HK9	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A,B	2D5C	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYQ	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2AA9	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	1ZYU	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2GPT	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2G1K	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2AAY	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYX	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2DFN	0.92
SKM	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX- 1-ENE-1-CARBOXYLIC ACID	A	2IYS	0.92
TSO	(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B,C,D	2W1A	0.73
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A	2O0Z	0.8
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A,B,C,D	1QXO	0.8
FA1	2,3 -ANHYDRO-QUINIC ACID	A	1H0R	0.81
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1GU1	0.81
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2C57	0.81