MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03232126

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
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.72
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.72
NBE	NITROSOBENZENE	A	1LH7	0.71
NBE	NITROSOBENZENE	A	2LH7	0.71
NBE	NITROSOBENZENE	A	2NSS	0.71
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.7
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.7
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.72
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.72
PND	P-NITROPHENYLHYDRAZINE	A,G	1JMZ	0.71
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.75
NIT	4-NITROANILINE	C,D	1RMH	0.76
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.76
NIT	4-NITROANILINE	B	1VBS	0.76
NIT	4-NITROANILINE	C	1V9T	0.76
NIT	4-NITROANILINE	C,D	1VBT	0.76
NIT	4-NITROANILINE	B	1LOP	0.76
NIT	4-NITROANILINE	C,D	1ZKF	0.76
NIT	4-NITROANILINE	B	1PIP	0.76
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
1MR	N-METHYLANILINE	X	2OTZ	0.73
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
NPB	3-NITROPHENYLBORONIC ACID	A,B	1KDS	0.75
BSU	1,3-DIPHENYLUREA	A	3E85	0.71
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.71
NIN	DINITROPHENYLENE	A	1RSM	0.74
NIN	DINITROPHENYLENE	A	1GVY	0.74
NIN	DINITROPHENYLENE	A	1GW1	0.74
TNS		A,B,L	2G2R	0.7
NYL	N-ALLYL-ANILINE	A	1OVK	0.73
MNQ	M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D0X	0.71
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	0.72
264	(phenylamino)acetonitrile	A	2RBN	0.73
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.71
PNQ	P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D0Z	0.74
NBZ	NITROBENZENE	A,B	2BMQ	0.77
NBZ	NITROBENZENE	A,B	3BGU	0.77
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.75
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.79
NMQ	N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D1C	0.74