MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214628

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
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.78
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.78
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.72
B28		A,B	2E9A	0.73
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.78
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.8
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.8
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.8
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.8
PEL	2-PHENYL-ETHANOL	A	1EYW	0.8
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.75
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.8
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
BDB		A,B	1KE3	0.73
PCR	P-CRESOL	A	1JHV	0.71
PCR	P-CRESOL	A	1JHU	0.71
PCR	P-CRESOL	A,B,C,D	1DIQ	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.7
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.71
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.72
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
HPS	PHENYL DIHYDROGEN PHOSPHATE	A	1O4O	0.7
B08		A,B	2E99	0.74
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.72
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.78
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.75
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.75
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.75
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.75
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.8
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
STL	RESVERATROL	A,B	3CKL	0.71
STL	RESVERATROL	A,B,C,D	1U0W	0.71
STL	RESVERATROL	A	1CGZ	0.71
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.71
STL	RESVERATROL	A	1Z1F	0.71
STL	RESVERATROL	A	1DVS	0.71
STL	RESVERATROL	A,B	1SG0	0.71
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.79
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.79
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
CRS	M-CRESOL	A,B,C,D	1EV3	0.7
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.7
CRS	M-CRESOL	A,B	1UZ9	0.7
CRS	M-CRESOL	A,B,C,D	1ZEH	0.7
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.7
CRS	M-CRESOL	A,C,D,E	7INS	0.7
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.73
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
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	0.71
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.71
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.71
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.71
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.8
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.81
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.77
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.75
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.71
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.8
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.79
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.8
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.8
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.8
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.8
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.8
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.8
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.8
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.8
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.8
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.75
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.84
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.84
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.79
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.71
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