MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00821164

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
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.75
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.72
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.77
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.7
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.8
NIN	DINITROPHENYLENE	A	1RSM	0.73
NIN	DINITROPHENYLENE	A	1GVY	0.73
NIN	DINITROPHENYLENE	A	1GW1	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.72
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.72
HNT	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL	A,B	2G70	0.71
3NT	3-NITROTOLUENE	A,B	2BMR	0.82
3NT	3-NITROTOLUENE	A,B	2HMO	0.82
DOF	(S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE	A,B,C,D	1NC4	0.77
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.72
NBZ	NITROBENZENE	A,B	2BMQ	0.75
NBZ	NITROBENZENE	A,B	3BGU	0.75
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.74
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.75
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.8
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.83
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.83
TNS		A,B,L	2G2R	0.73
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
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	0.75
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.77
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
NIT	4-NITROANILINE	C,D	1RMH	0.73
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.73
NIT	4-NITROANILINE	B	1VBS	0.73
NIT	4-NITROANILINE	C	1V9T	0.73
NIT	4-NITROANILINE	C,D	1VBT	0.73
NIT	4-NITROANILINE	B	1LOP	0.73
NIT	4-NITROANILINE	C,D	1ZKF	0.73
NIT	4-NITROANILINE	B	1PIP	0.73
AAH		H	1KEL	0.72
AAH		B,H	1FL6	0.72