MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02790638

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
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.7
983	(5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]- 5-BENZYL-10-HYDROXY-9-ISOPROPYL- 3-OXO-1-PHENYL-2-OXA-7-THIA-4,8- DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10- TRIOXIDE	A,B,C	2PJB	0.71
BSI	2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID	A	1BZS	0.75
BSI	2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID	A	1I76	0.75
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.72
TPX	(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID	A	1QGF	0.71
TPX	(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID	B	1E34	0.71
TPX	(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID	B	1E35	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.71
0A9	methyl L-phenylalaninate	A	1AY2	0.74
0A9	methyl L-phenylalaninate	I	5ER1	0.74
0A9	methyl L-phenylalaninate	I,P	1HDT	0.74
BDL	N-(biphenyl-4-ylsulfonyl)-D-leucine	A	3EHX	0.82
EG3	PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE	A	1CNY	0.71
UKP	[2,4,6-TRIISOPROPYL-PHENYLSULFONYL- L-[3-AMIDINO-PHENYLALANINYL]]-N'- BETA-ALANINYL-PIPERAZINE	A	1F92	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.71
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.75
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.74
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.79
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2P	0.77
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2O	0.77
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2Q	0.77
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2R	0.77
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2W	0.77
ANH	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE	T	1V2T	0.77
B15	[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2- )-KAPPAO]COPPER	A	2FOQ	0.7
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.73
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.73
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.72
TR1	2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER	A,B	1C8T	0.71
TR1	2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER	A,B	1C3I	0.71
SUB	3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER	A	1J4H	0.73
A00	N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide	A,B	2QMP	0.71
IN4	+/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE	A	1AZ8	0.71
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EKO	0.73
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EL3	0.73
528	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(R)-HYDROXY[(1R)-2-METHYL-1- {[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A,B,C	2PIY	0.79
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
DNS	N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE	H	1WZ1	0.71
235	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-HYDROXY{(1R)-2-METHYL-1- [(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID	A,B,C	2PJ7	0.81
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.71
17A	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]- 2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PJ8	0.8
MBS		A,B	1HY7	0.7
MUW	N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]- 6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)- BETA-PHENYL-L-PHENYLALANINAMIDE	A,B	2Q3K	0.76
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.72
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.72
2BL	(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]- L-aspartic acid	A	1BTU	0.73
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.72