MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649289

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
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.71
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.71
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.71
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
412	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE	A	1ZML	0.7
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.74
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.79
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.78
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.78
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.78
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.83
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.72
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.71
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.77
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.82
ABN	BENZYLAMINE	D,H	2HXC	0.78
ABN	BENZYLAMINE	A,I	1A86	0.78
ABN	BENZYLAMINE	A	1UTN	0.78
ABN	BENZYLAMINE	A	1N6X	0.78
ABN	BENZYLAMINE	A	2BZA	0.78
ABN	BENZYLAMINE	A	2EUS	0.78
ABN	BENZYLAMINE	A	1N6Y	0.78
ABN	BENZYLAMINE	A	1UTJ	0.78
51U	D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide	H,I	2ZF0	0.7
44U	beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide	B,D	3DA9	0.72
565	(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE	A,B	2IIV	0.72
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71