MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03169151

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
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.74
NPP	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE	L	1BAF	0.79
OSP	SULTHIAME	A	2Q1Q	0.7
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.7
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.73
3NT	3-NITROTOLUENE	A,B	2BMR	0.75
3NT	3-NITROTOLUENE	A,B	2HMO	0.75
NIN	DINITROPHENYLENE	A	1RSM	0.73
NIN	DINITROPHENYLENE	A	1GVY	0.73
NIN	DINITROPHENYLENE	A	1GW1	0.73
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.75
NYL	N-ALLYL-ANILINE	A	1OVK	0.73
264	(phenylamino)acetonitrile	A	2RBN	0.73
NBZ	NITROBENZENE	A,B	2BMQ	0.75
NBZ	NITROBENZENE	A,B	3BGU	0.75
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.76
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.76
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.74
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.72
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.75
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.7
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.71
NMQ	N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D1C	0.73
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.79
TNS		A,B,L	2G2R	0.75
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.7
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.7
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.79
NIT	4-NITROANILINE	C,D	1RMH	0.75
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.75
NIT	4-NITROANILINE	B	1VBS	0.75
NIT	4-NITROANILINE	C	1V9T	0.75
NIT	4-NITROANILINE	C,D	1VBT	0.75
NIT	4-NITROANILINE	B	1LOP	0.75
NIT	4-NITROANILINE	C,D	1ZKF	0.75
NIT	4-NITROANILINE	B	1PIP	0.75
PNQ	P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D0Z	0.72
MGR	MALACHITE GREEN	A,B	3BQZ	0.7
MGR	MALACHITE GREEN	A	1Q8N	0.7
MGR	MALACHITE GREEN	A,B	3BR0	0.7
MGR	MALACHITE GREEN	A,D,E	3BTL	0.7
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.7
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.71
1MR	N-METHYLANILINE	X	2OTZ	0.71