MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03265364

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
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.76
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.71
TRZ	TRAZEOLIDE	A	1C12	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
VK3	MENADIONE	A	1TUV	0.82
VK3	MENADIONE	A,B	2QR2	0.82
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.8
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.8
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	0.78
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.75
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.83
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.83
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.83
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.83
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	0.83
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
BDB		A,B	1KE3	0.72
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
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.73
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
NPY	NAPHTHALENE	A,B	1O7G	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.78
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.7
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.7
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.81
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.81
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.81
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.81
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.81
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.81
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.81
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.81
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.81
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.81
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.81
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.81
1LP	TRANYLCYPROMINE	A,B	1OJB	0.77
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
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
BFL		A,B	1Q4G	0.77
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.73
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.75
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.83
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
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
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	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
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.75
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.82
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.81
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
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
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72