MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02457275

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
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B,C,D	1L9W	0.74
DHS	3-AMINO-4,5-DIHYDROXY-CYCLOHEX- 1-ENECARBOXYLATE	A,B	1QFE	0.74
RGC	REIDISPONGIOLIDE C	A	2ASP	0.74
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
164	2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID	A	1R6W	0.72
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
11O	(TRANS-12,13-EPOXY)-11-HYDROXY- 9(Z)-OCTADECENOIC ACID	A	1IK3	0.7
DHK	3-DEHYDROSHIKIMATE	A	1WE2	0.78
DHK	3-DEHYDROSHIKIMATE	A,B	1SFJ	0.78
DHK	3-DEHYDROSHIKIMATE	A,B,C,D,E,F, G,H,I,J,K,L	1GTZ	0.78
DHK	3-DEHYDROSHIKIMATE	A	2O7Q	0.78
DHK	3-DEHYDROSHIKIMATE	A	2O7S	0.78
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	1ECM	0.72
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	0.72
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	X	2GTV	0.72
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	H	1FIG	0.72
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	4CSM	0.72
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B	3CSM	0.72
TSA	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	B	2FP2	0.72
FA3	2-ANHYDRO-3-FLUORO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1V1J	0.76
FA1	2,3 -ANHYDRO-QUINIC ACID	A	1H0R	0.77
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1GU1	0.77
FA1	2,3 -ANHYDRO-QUINIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2C57	0.77
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1MFV	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1NM9	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1CPU	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1MFU	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	1PIG	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	X	1Z32	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	X	3BLP	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	3BLK	0.71
HMC	5-HYDROXYMETHYL-CHONDURITOL	A	3DHP	0.71
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	2PQC	0.8
RC1	[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8T	0.8
SC1	[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY- 1-PHOSPHONOETHOXY)-4-HYDROXY-3- (PHOSPHONOOXY)-1-CYCLOHEXENE-1- CARBOXYLIC ACID	A	1X8R	0.8
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
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	0.76
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	0.76
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	0.76
B2S	(3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one	A	3B2S	0.7
MRC	MUPIROCIN	A	1JZS	0.77
MRC	MUPIROCIN	A,T	1FFY	0.77
MRC	MUPIROCIN	A	1QU3	0.77
MRC	MUPIROCIN	A,T	1QU2	0.77
TSO	(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON- 6-ENE-3,5-DICARBOXYLIC ACID	A,B,C,D	2W1A	0.72
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	2O0X	0.79
SKP	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)- 4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX- 1-ENECARBOXYLIC ACID	A	1Q36	0.79
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A	2O0Z	0.81
EPS	5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY- 3-(PHOSPHONOOXY)CYCLOHEX-1-ENE- 1-CARBOXYLIC ACID	A,B,C,D	1QXO	0.81