MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005685

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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.72
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.71
3BZ	3-chlorobenzoate	X	2QVZ	0.78
3BZ	3-chlorobenzoate	X	2QVX	0.78
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.83
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.83
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
3CH	3-CHLOROPHENOL	A	1LI3	0.76
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.7
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.7
2CH	2-CHLOROPHENOL	A	1WBO	0.74
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.74
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.71
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.8
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.82
PCR	P-CRESOL	A	1JHV	0.72
PCR	P-CRESOL	A	1JHU	0.72
PCR	P-CRESOL	A,B,C,D	1DIQ	0.72
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
ETY	4-ethylphenol	A,B,C,D	2RA6	0.7
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.79
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.79
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.78
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.77
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.83
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.73
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.81
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.7
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.74
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.74
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.84
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.86
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.71
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.78
2LP	2-ALLYLPHENOL	A	1OV5	0.72
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.78
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.78
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.78
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.78
PEL	2-PHENYL-ETHANOL	A	1EYW	0.78
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.78
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.78
CRS	M-CRESOL	A,B,C,D	1EV3	0.71
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.71
CRS	M-CRESOL	A,B	1UZ9	0.71
CRS	M-CRESOL	A,B,C,D	1ZEH	0.71
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.71
CRS	M-CRESOL	A,C,D,E	7INS	0.71
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.71