MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02340069

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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.82
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.83
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.8
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.8
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.8
FBC		A,B	2B9A	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
4FC		A	1YSG	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
3CA		A,B	2B77	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
BFL		A,B	1Q4G	0.8
26C		A,B	2F7I	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.78
HCI	HYDROCINNAMIC ACID	A	1TOI	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.78
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.78
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.78
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.75
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.75
3BZ	3-chlorobenzoate	X	2QVZ	0.73
3BZ	3-chlorobenzoate	X	2QVX	0.73
OX1		H,Y	1LO2	0.71
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.71
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.79
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.84
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77