MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225916

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
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.8
BCS	BENZYLCYSTEINE	A	1EH8	0.8
4TB	4-(2-THIENYL)BUTYRIC ACID	A,B	2AY8	0.72
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.72
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
PBB	S-(4-BROMOBENZYL)CYSTEINE	A,B,C,D	1AQV	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.71
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.71
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.78
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
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.75
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.71
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
PVS	(ethenylsulfonyl)benzene	A	3BLU	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.73
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.73
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
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
TOS	P-SULFINOTOLUENE	H	1ETT	0.72
TOS	P-SULFINOTOLUENE	I	4PAD	0.72
TOS	P-SULFINOTOLUENE	A	1EST	0.72
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.72
TOS	P-SULFINOTOLUENE	E	1PPH	0.72
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.75
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.76