MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02746139

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
TNS		A,B,L	2G2R	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.77
GW9	2-chloro-5-nitro-N-phenylbenzamide	A,D	3E00	0.72
NIT	4-NITROANILINE	C,D	1RMH	0.71
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.71
NIT	4-NITROANILINE	B	1VBS	0.71
NIT	4-NITROANILINE	C	1V9T	0.71
NIT	4-NITROANILINE	C,D	1VBT	0.71
NIT	4-NITROANILINE	B	1LOP	0.71
NIT	4-NITROANILINE	C,D	1ZKF	0.71
NIT	4-NITROANILINE	B	1PIP	0.71
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.73
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.78
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.78
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.77
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.7
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.7
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.7
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.7
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.7
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.85
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.76
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.75
PRY	2-PROPYL-ANILINE	A	1OWY	0.71
NIN	DINITROPHENYLENE	A	1RSM	0.71
NIN	DINITROPHENYLENE	A	1GVY	0.71
NIN	DINITROPHENYLENE	A	1GW1	0.71
NBZ	NITROBENZENE	A,B	2BMQ	0.75
NBZ	NITROBENZENE	A,B	3BGU	0.75
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.77
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.71
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.74
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
3NT	3-NITROTOLUENE	A,B	2BMR	0.81
3NT	3-NITROTOLUENE	A,B	2HMO	0.81
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.72
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.71
TSN	TRICHOSTATIN A	A,B	1T64	0.7
TSN	TRICHOSTATIN A	A,B	1C3R	0.7
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.7
TSN	TRICHOSTATIN A	A,B,C	3C10	0.7