MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020827

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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.76
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.72
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.7
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.7
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.7
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.7
IPP	(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID	A,B	1BLS	0.72
DHQ	3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE	A	1PAX	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.71
NPY	NAPHTHALENE	A,B	1O7G	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.7
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.74
IPO	PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID	A	1IGB	0.72
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.75
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.74
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.78
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.7
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.7
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.7
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.7
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.7
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.7
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.7
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.7
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.9
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.9
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.71
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.79
PHA	PHENYLALANINAL	A,B	1OB2	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.75
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.75
PHA	PHENYLALANINAL	P	3SGA	0.75
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.75
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.75
PHA	PHENYLALANINAL	A,B	1KDV	0.75
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.75
PHA	PHENYLALANINAL	A,B	1KDY	0.75
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.75
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.75
PHA	PHENYLALANINAL	A,B	1KE2	0.75
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.78
NFA	PHENYLALANINE AMIDE	A	2A4O	0.78
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.78
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.78
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.73
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
PEY	PHENANTHRENE	A,B	2HML	0.72
PEY	PHENANTHRENE	A,B	2HMK	0.72
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.78
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.71
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.71
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.71
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.71
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.71
AN3	ANTHRACENE	A,B	2HMN	0.72
AN3	ANTHRACENE	A,B	2HMM	0.72
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.74
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.75