MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213891

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
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.74
NBE	NITROSOBENZENE	A	1LH7	0.71
NBE	NITROSOBENZENE	A	2LH7	0.71
NBE	NITROSOBENZENE	A	2NSS	0.71
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.81
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.78
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.84
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.84
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.71
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.73
NBZ	NITROBENZENE	A,B	2BMQ	0.76
NBZ	NITROBENZENE	A,B	3BGU	0.76
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.77
NIN	DINITROPHENYLENE	A	1RSM	0.76
NIN	DINITROPHENYLENE	A	1GVY	0.76
NIN	DINITROPHENYLENE	A	1GW1	0.76
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.71
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.72
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.71
AAH		H	1KEL	0.74
AAH		B,H	1FL6	0.74
TNS		A,B,L	2G2R	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
NIT	4-NITROANILINE	C,D	1RMH	0.74
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.74
NIT	4-NITROANILINE	B	1VBS	0.74
NIT	4-NITROANILINE	C	1V9T	0.74
NIT	4-NITROANILINE	C,D	1VBT	0.74
NIT	4-NITROANILINE	B	1LOP	0.74
NIT	4-NITROANILINE	C,D	1ZKF	0.74
NIT	4-NITROANILINE	B	1PIP	0.74
3NT	3-NITROTOLUENE	A,B	2BMR	0.81
3NT	3-NITROTOLUENE	A,B	2HMO	0.81
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
HNT	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL	A,B	2G70	0.7
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.81
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
DOF	(S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE	A,B,C,D	1NC4	0.75
IDM	INDOLINE	A,B	3CEP	0.77
IDM	INDOLINE	A	1AEK	0.77