MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01014553

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
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.7
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.7
FC1	THIOCOUMARIN	A	2BHJ	0.76
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
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.7
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
HC4		A	1TS6	0.73
HC4		A	3PHY	0.73
HC4		A	3PYP	0.73
HC4		A	1T1C	0.73
HC4		A	1OT6	0.73
HC4		A	1TS0	0.73
HC4		A	1T1A	0.73
HC4		A	2PYP	0.73
HC4		A	2ZOI	0.73
HC4		A	1OTI	0.73
HC4		A	1XFQ	0.73
HC4		A	2D01	0.73
HC4		A,B,C,D,E,F, G,H	2O7B	0.73
HC4		A	2ZOH	0.73
HC4		A	1GSW	0.73
HC4		A	2QJ7	0.73
HC4		A	1F9I	0.73
HC4		X	1UWP	0.73
HC4		A	2PHY	0.73
HC4		A	1T1B	0.73
HC4		A	1F98	0.73
HC4		A	1T19	0.73
HC4		X	1UWN	0.73
HC4		A,B,C,D,E,F, G,H	2O7F	0.73
HC4		A	1UGU	0.73
HC4		A	1TS8	0.73
HC4		A,B	1OTD	0.73
HC4		A	1OTE	0.73
HC4		A	1GSX	0.73
HC4		A	1TS7	0.73
HC4		A	2PYR	0.73
HC4		A	1S4S	0.73
HC4		A	1GSV	0.73
HC4		A	2I9V	0.73
HC4		A	2QWS	0.73
HC4		A	1XFN	0.73
HC4		A	1S4R	0.73
HC4		A	1T18	0.73
HC4		A	1OTA	0.73
HC4		A	1D7E	0.73
HC4		A	1S1Z	0.73
HC4		A,B,C	1MZU	0.73
HC4		A,B	1ODV	0.73
HC4		A,B	2J3J	0.73
HC4		A	2QJ5	0.73
HC4		A	1OTB	0.73
HC4		A	2D02	0.73
HC4		A	1OT9	0.73
HC4		A	1NWZ	0.73
HC4		A	1S1Y	0.73
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.7
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
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
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.75
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.79
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.7
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
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
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.76