MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03545829

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
2FR	3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide	A	3DBC	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.77
EI1	3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL	A,B	2QAB	0.72
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.75
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.75
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.78
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.78
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.78
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.78
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.71
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.71
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.71
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.74
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.75
DTR	D-TRYPTOPHAN	A	1XY8	0.75
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.75
DTR	D-TRYPTOPHAN	A	2V7K	0.75
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.75
DTR	D-TRYPTOPHAN	A	1DFY	0.75
DTR	D-TRYPTOPHAN	A	1XY5	0.75
DTR	D-TRYPTOPHAN	A	1NXN	0.75
DTR	D-TRYPTOPHAN	A	1TKF	0.75
DTR	D-TRYPTOPHAN	A	1YL9	0.75
DTR	D-TRYPTOPHAN	A	1XXZ	0.75
DTR	D-TRYPTOPHAN	A	1XY4	0.75
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.75
DTR	D-TRYPTOPHAN	A	1QFB	0.75
DTR	D-TRYPTOPHAN	A	1DFZ	0.75
DTR	D-TRYPTOPHAN	A	1XY9	0.75
DTR	D-TRYPTOPHAN	A	1XY6	0.75
DTR	D-TRYPTOPHAN	A	2SOC	0.75
DTR	D-TRYPTOPHAN	A	2JUE	0.75
DTR	D-TRYPTOPHAN	A	1SOC	0.75
DTR	D-TRYPTOPHAN	A	1YL8	0.75
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.75
DTR	D-TRYPTOPHAN	A,B	2Q33	0.75
DTR	D-TRYPTOPHAN	A	1DG0	0.75
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.75
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.74
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.74
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.74
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.74
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.74
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.74
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.74
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.76
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.76
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.7
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.7
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.74
4PP		C,L	1XKA	0.72
4PP		A,B,C,D	1XKB	0.72
DAY	1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)- 1,11-dihydroxy-2,5,10a,12a-tetramethyl- 7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a- dodecahydrocyclopenta[5,6]naphtho[1,2- f]indazol-1-yl]-2-hydroxyethanone	A	3BQD	0.71
BTR	6-BROMO-TRYPTOPHAN	A	1WCT	0.71
CCK	[1-(6-{6-[(1-methylethyl)amino]- 1H-indazol-1-yl}pyrazin-2-yl)-1H- pyrrol-3-yl]acetic acid	X	3E3B	0.7
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.74
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.74
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.73
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.77
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.73