MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02327953

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
AC0	1-PHENYLETHANONE	A	1ZK1	0.7
AC0	1-PHENYLETHANONE	A	1ZK4	0.7
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.83
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.83
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.83
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.77
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.77
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.77
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.77
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.77
SS1	1-PHENYLETHANOL	H	1UM5	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.78
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.78
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.76
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.76
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.7
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.73
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.81
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.76