MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347886

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
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.76
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
FPR	PROPYLBENZENE	C	1RHK	0.73
HBX	benzaldehyde	A,B	3GDN	0.83
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.79
1LP	TRANYLCYPROMINE	A,B	1OJB	0.79
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.9
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.9
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.82
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.82
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.82
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	0.82
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
VK3	MENADIONE	A	1TUV	0.87
VK3	MENADIONE	A,B	2QR2	0.87
AC0	1-PHENYLETHANONE	A	1ZK1	0.96
AC0	1-PHENYLETHANONE	A	1ZK4	0.96
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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.77
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
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.83
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.83
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.84
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.82
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.87
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.81
N4B	N-BUTYLBENZENE	A	186L	0.73
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.81
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.81
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.81
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.82
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.82
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.82
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.82
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.82
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.82
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.82
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.82
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.75
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.78
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.71
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.71
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.71
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.71
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.71
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.74
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
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.82
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.82
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.82
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.82
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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.92
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	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