MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02005104

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
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.72
BHM	(R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A	2AX9	0.8
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.77
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.72
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.7
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.73
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.71
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1TV5	0.78
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1D3H	0.78
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.84
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.75
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.75
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.72
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.76
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.71
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.76
IDM	INDOLINE	A,B	3CEP	0.7
IDM	INDOLINE	A	1AEK	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.79
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.7
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.77
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.72