MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01660621

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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
BFL		A,B	1Q4G	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.75
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.75
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.75
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.76
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.76
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.8
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.72
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.72
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.74
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	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.76
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.76
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.75
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.76
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.76
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.76
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.79
AC0	1-PHENYLETHANONE	A	1ZK4	0.79
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.76
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.76
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.76
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.76
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.76
VK3	MENADIONE	A	1TUV	0.74
VK3	MENADIONE	A,B	2QR2	0.74
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
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.74
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.76
HCI	HYDROCINNAMIC ACID	A	1TOI	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.76
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.76
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
TRZ	TRAZEOLIDE	A	1C12	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.76
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.77