MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01823387

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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.83
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.74
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.71
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.72
B28		A,B	2E9A	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.72
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.72
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.72
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.72
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.72
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.72
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.73
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	0.72
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.72
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.72
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
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.83
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.7
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
B08		A,B	2E99	0.74
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.8
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.72
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.79
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.79
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.84
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.84
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.84
24I	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	A	2C6C	0.71
PCR	P-CRESOL	A	1JHV	0.72
PCR	P-CRESOL	A	1JHU	0.72
PCR	P-CRESOL	A,B,C,D	1DIQ	0.72
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.73
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.76
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A	1ILH	0.78
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A,B	1NRL	0.78
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.72
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.7
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.7
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.79
SS1	1-PHENYLETHANOL	H	1UM5	0.83
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.75
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.75
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.72
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.76
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.79
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
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