MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006798

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
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.73
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.76
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.73
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.73
2CH	2-CHLOROPHENOL	A	1WBO	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.73
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.82
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.81
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.81
2LP	2-ALLYLPHENOL	A	1OV5	0.71
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.76
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.76
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.76
PEL	2-PHENYL-ETHANOL	A	1EYW	0.76
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.8
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.8
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.72
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.8
34Z	3,4-dichlorobenzoate	X	2QVY	0.74
34Z	3,4-dichlorobenzoate	X	2QW0	0.74
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.84
PCR	P-CRESOL	A	1JHV	0.7
PCR	P-CRESOL	A	1JHU	0.7
PCR	P-CRESOL	A,B,C,D	1DIQ	0.7
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.76
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.76
3CH	3-CHLOROPHENOL	A	1LI3	0.74
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.77
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.77
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.73
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.81
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.8
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.74