MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03310740

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
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.7
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.7
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	1TH6	0.72
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	2ARM	0.72
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
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.7
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.71
BFL		A,B	1Q4G	0.8
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.74
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.74
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
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.71
BCS	BENZYLCYSTEINE	A	1EH8	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
OAP	4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID	A,B,C,D,E,F	1KVO	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
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	0.71
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.73
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.74
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.71
4FC		A	1YSG	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.7
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.72
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
TIN		A,B	1N94	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.7
ISF		A,B	1PGE	0.71
072	(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE	A,B,C,D	4PRG	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.8
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.71