MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325143

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
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.75
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.73
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.84
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.74
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.74
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.74
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.74
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.74
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.71
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.78
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F, G,H,I,J,K,L	2PIS	0.75
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.72
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.72
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.72
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.77
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.75
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.73
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.81
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.81
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.81
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.81
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.81
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.83
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.78
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.74
RMN	(R)-MANDELIC ACID	A	1MDL	0.7
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71