MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020102

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
3XH	3-Hydroxyhippuric acid	A	3E9K	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.94
14A	N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE	H,I	1T4V	0.71
BEK	2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE	A	1KJR	0.82
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.71
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLM	0.76
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLF	0.76
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLE	0.76
CS5	N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE	A,B	2QK5	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.78
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.76
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.71
296	(3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid	A,B	2RJS	0.76
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.79
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.71
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.7
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.74
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.71
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.71
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.71
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.71
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.71
ILB		A	2FPT	0.71
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.76
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.76
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.76
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.76
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.76
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.82
BGF	2,5-BIS(4-GUANYLPHENYL)FURAN	A	227D	0.71
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.73