MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03355184

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
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.78
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.78
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.78
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.78
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.78
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.78
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.78
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.78
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.8
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.79
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.79
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.74
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
N4B	N-BUTYLBENZENE	A	186L	0.76
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.75
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.7
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.82
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
HBX	benzaldehyde	A,B	3GDN	0.73
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
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.78
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.78
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	0.78
FPR	PROPYLBENZENE	C	1RHK	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
BDB		A,B	1KE3	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84