MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02179099

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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.7
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.83
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.7
FLP	FLURBIPROFEN	A,B	1CQE	0.7
FLP	FLURBIPROFEN	A,B	1EQH	0.7
FLP	FLURBIPROFEN	A,B	2AYL	0.7
FLP	FLURBIPROFEN	A	1DVT	0.7
FLP	FLURBIPROFEN	A	1R9O	0.7
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.73
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.73
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
4FC		A	1YSG	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.7
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.81
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
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	0.74
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.7
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.74
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.73
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.73
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.73
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.73
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
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
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.81
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
FBC		A,B	2B9A	0.7
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.71
BFL		A,B	1Q4G	0.72
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate	A,B	2QR9	0.7
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.71
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
26C		A,B	2F7I	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.81
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71