MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007538

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
3NT	3-NITROTOLUENE	A,B	2BMR	0.74
3NT	3-NITROTOLUENE	A,B	2HMO	0.74
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.76
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.82
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.7
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.7
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.84
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.84
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.79
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.7
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.7
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.78
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.79
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.74
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.75
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.75
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2BDI	0.75
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.75
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.75
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.75
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.75
RJ1	N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide	A,B,C,D	3DGA	0.73
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.7
1AN	2-FLUOROANILINE	A	1LGW	0.73
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.8
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.8
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.8
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.8
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.71
34A	3,4-DIMETHYLANILINE	A	1L4K	0.82
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.74
GP6	1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA	A	1BJU	0.71
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.71
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.71
ANL	ANILINE	A	2OV4	0.76
ANL	ANILINE	A	1AEE	0.76
ANL	ANILINE	A	1PPA	0.76
ANL	ANILINE	A	1HJ9	0.76
PH3	N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE	A,B	1DM6	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.82
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.7
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.7
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.83
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.9
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.79
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.79