MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01221798

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
SS1	1-PHENYLETHANOL	H	1UM5	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.78
B08		A,B	2E99	0.77
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.7
BFL		A,B	1Q4G	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.74
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.71
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.75
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.75
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.75
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.75
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.75
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.75
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.77
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.71
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.75
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.77
24I	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	A	2C6C	0.73
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.7
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.73
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.71
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
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
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.71
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.71
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.72
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.71
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A	1ILH	0.72
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A,B	1NRL	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.7
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
B28		A,B	2E9A	0.76
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.72
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7