MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00821337

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
DPK	DEPRENYL	A,B	2BYB	0.8
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.74
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.89
998	N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE	A	1TFQ	0.72
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE	A,B,C,D	1TP7	0.7
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.73
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.72
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.74
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.72
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.73
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.72
PZQ	PRAZIQUANTEL	A	1GTB	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.7
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.72
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.75
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.75
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.72
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.71
271	N-methyl-1-phenylmethanamine	X	2RBT	0.73
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.76
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.7
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.85
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.8
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.7
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.73
4PI	N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE	A,B	2NSD	0.73
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	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