MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046075

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
PRY	2-PROPYL-ANILINE	A	1OWY	0.7
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.8
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.75
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.75
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.75
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.75
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.7
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1TV5	0.74
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1D3H	0.74
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.92
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.77
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.74
RJ1	N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide	A,B,C,D	3DGA	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.72
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.75
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.76
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.76
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.7
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.73
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.74
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.79
BHM	(R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A	2AX9	0.72
BSU	1,3-DIPHENYLUREA	A	3E85	0.7
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
NYL	N-ALLYL-ANILINE	A	1OVK	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.7
IDM	INDOLINE	A,B	3CEP	0.72
IDM	INDOLINE	A	1AEK	0.72