MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02159222

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
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.71
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.74
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.76
BCS	BENZYLCYSTEINE	A	1EH8	0.76
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.77
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.73
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.7
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.8
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.76