MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03407202

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
SMN	(S)-MANDELIC ACID	A	1MDL	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.75
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.79
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.72
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.72
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.71
TB1	(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID	A,B,C	2NWW	0.78
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.7
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
MY2	{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY- 4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID	I	2CNK	0.7
S1A	SORAPHEN A	A,B	3GID	0.77
S1A	SORAPHEN A	A,B,C	1W96	0.77
791	2-PHENYLMALONIC ACID	A	1O4P	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.74
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.74
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.74
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.74
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.74
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.74
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.73
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.73
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.77
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.7
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.7
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.77
RMN	(R)-MANDELIC ACID	A	1MDL	0.77
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.77
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.72
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.7
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.72
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.79
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71