MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00126243

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
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.82
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
8MO	METHOXSALEN	A,B,C,D	1Z11	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.72
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.75
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.78
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.75
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.74
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.7
BZF	BENZOFURAN	A	182L	0.75
KWT	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL- 1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO- 1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO- 3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN- 11-YL ACETATE	A	3D5X	0.72
KWT	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL- 1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO- 1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO- 3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN- 11-YL ACETATE	A	1E7U	0.72
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.78
C1F	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC	A,B	2BXA	0.87
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
MOA	MYCOPHENOLIC ACID	A	1ME7	0.71
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.71
MOA	MYCOPHENOLIC ACID	A	1MEI	0.71
MOA	MYCOPHENOLIC ACID	A	1MEH	0.71
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.76
COU	COUMARIN	A	3CRB	0.7
COU	COUMARIN	A	2PMJ	0.7
COU	COUMARIN	A	2H90	0.7
COU	COUMARIN	A,B,C,D	1Z10	0.7
COU	COUMARIN	A	2PWB	0.7