MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024236

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
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.74
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.74
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	0.7
341	(3,5-difluorophenyl)methanol	C	3EON	0.92
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.79
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.79
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.77
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.81
FP2	2-fluorophenol	A	3CPO	0.7
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.79
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.7
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.73
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.73
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.73
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.73
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.77
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.94
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.94
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.81
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.81
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.81
PEL	2-PHENYL-ETHANOL	A	1EYW	0.81
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.81
SS1	1-PHENYLETHANOL	H	1UM5	0.85
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.79
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.74
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
FPN	4-FLUOROPHENOL	A,B	1XVD	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.78
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.78
2LP	2-ALLYLPHENOL	A	1OV5	0.75
FBC		A,B	2B9A	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.7
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.85
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.86
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.86
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.73
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.71
26C		A,B	2F7I	0.7
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.85
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.73
PCR	P-CRESOL	A	1JHV	0.73
PCR	P-CRESOL	A	1JHU	0.73
PCR	P-CRESOL	A,B,C,D	1DIQ	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.85
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.85
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.85
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.85
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.94
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.72